II4

1-(3-METHYLPHENYL)-1H-BENZIMIDAZOL-5-AMINE

Created:	2009-05-04
Last modified:	2011-06-04

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1 entries where II4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	17

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Chemical Component Summary
Name	1-(3-METHYLPHENYL)-1H-BENZIMIDAZOL-5-AMINE
Systematic Name (OpenEye OEToolkits)	1-(3-methylphenyl)benzimidazol-5-amine
Formula	C₁₄ H₁₃ N₃
Molecular Weight	223.273
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c1cc(ccc1n(c2)c3cc(ccc3)C)N
SMILES	CACTVS	3.352	Cc1cccc(c1)n2cnc3cc(N)ccc23
SMILES	OpenEye OEToolkits	1.6.1	Cc1cccc(c1)n2cnc3c2ccc(c3)N
Canonical SMILES	CACTVS	3.352	Cc1cccc(c1)n2cnc3cc(N)ccc23
Canonical SMILES	OpenEye OEToolkits	1.6.1	Cc1cccc(c1)n2cnc3c2ccc(c3)N
InChI	InChI	1.03	InChI=1S/C14H13N3/c1-10-3-2-4-12(7-10)17-9-16-13-8-11(15)5-6-14(13)17/h2-9H,15H2,1H3
InChIKey	InChI	1.03	VFSVFGIODYZMOF-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07972
Name	1-(3-METHYLPHENYL)-1H-BENZIMIDAZOL-5-AMINE
Groups	experimental
Synonyms	1-(3-METHYLPHENYL)-1H-BENZIMIDAZOL-5-AMINE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cytochrome P450 130	MTSVMSHEFQLATAETWPNPWPMYRALRDHDPVHHVVPPQRPEYDYYVLS...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682