WWR

3-(phenylmethyl)-1~{H}-imidazol-2-one

Created:	2023-10-16
Last modified:	2024-03-27

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1 entries where WWR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	6

2D diagram of WWR

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Chemical Component Summary
Name	3-(phenylmethyl)-1~{H}-imidazol-2-one
Systematic Name (OpenEye OEToolkits)	3-(phenylmethyl)-1~{H}-imidazol-2-one
Formula	C₁₀ H₁₀ N₂ O
Molecular Weight	174.199
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1NC=CN1Cc2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CN2C=CNC2=O
Canonical SMILES	CACTVS	3.385	O=C1NC=CN1Cc2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CN2C=CNC2=O
InChI	InChI	1.06	InChI=1S/C10H10N2O/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,13)
InChIKey	InChI	1.06	MDHGKJCKJNPZKA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2817661

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.