2-(2-chloro-3-phenylmethoxyimidazol-4-yl)acetonitrile

C12H10ClN3O — CID 91623201

IUPAC2-(2-chloro-3-phenylmethoxyimidazol-4-yl)acetonitrile
SMILESN#CCc1cnc(Cl)n1OCc1ccccc1
InChIInChI=1S/C12H10ClN3O/c13-12-15-8-11(6-7-14)16(12)17-9-10-4-2-1-3-5-10/h1-5,8H,6,9H2
InChIKeyFCEHHCRVFPNAPJ-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.23
Rot. Bonds4

About 2-(2-chloro-3-phenylmethoxyimidazol-4-yl)acetonitrile

2-(2-chloro-3-phenylmethoxyimidazol-4-yl)acetonitrile (PubChem CID 91623201) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-(2-chloro-3-phenylmethoxyimidazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-chloro-3-phenylmethoxyimidazol-4-yl)acetonitrile
PubChem CID91623201
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name2-(2-chloro-3-phenylmethoxyimidazol-4-yl)acetonitrile
SMILESN#CCc1cnc(Cl)n1OCc1ccccc1
InChIInChI=1S/C12H10ClN3O/c13-12-15-8-11(6-7-14)16(12)17-9-10-4-2-1-3-5-10/h1-5,8H,6,9H2
InChIKeyFCEHHCRVFPNAPJ-UHFFFAOYSA-N
XLogP2.23
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenylmethoxypyrazole-4-carbonitrile
CID 10703150
4-chloro-1-phenylmethoxypyrazole
CID 91619331
2,5-dichloro-1-phenylmethoxyimidazole-4-carboxylic acid
CID 11833029
2-chloro-4-methyl-1-phenylmethoxyimidazole
CID 10867903
4,5-dichloro-2-methyl-3-phenylmethoxy-1H-imidazole-2-carbonitrile
CID 70575066
(2-chloro-5-methyl-3-phenylmethoxyimidazol-4-yl)methanol
CID 10999557
2-[3-chloro-5-(4-phenylmethoxyphenyl)phenyl]acetonitrile
CID 175670062
2-benzyl-1-phenylmethoxyindole-3-carbonitrile
CID 24812930
2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]acetonitrile
CID 19050147
6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile
CID 22662788
2-[5-bromo-3-(cyanomethyl)-2-phenylmethoxyphenyl]acetonitrile
CID 123197121
5-phenylmethoxypyridine-2-carbonitrile
CID 15574701

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-phenylmethoxyimidazol-4-yl)acetonitrile?
The IUPAC name of 2-(2-chloro-3-phenylmethoxyimidazol-4-yl)acetonitrile (CID 91623201) is 2-(2-chloro-3-phenylmethoxyimidazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(2-chloro-3-phenylmethoxyimidazol-4-yl)acetonitrile?
The canonical SMILES for 2-(2-chloro-3-phenylmethoxyimidazol-4-yl)acetonitrile is N#CCc1cnc(Cl)n1OCc1ccccc1.
What is the InChIKey of 2-(2-chloro-3-phenylmethoxyimidazol-4-yl)acetonitrile?
The InChIKey is FCEHHCRVFPNAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-12-15-8-11(6-7-14)16(12)17-9-10-4-2-1-3-5-10/h1-5,8H,6,9H2.
What are the key properties of 2-(2-chloro-3-phenylmethoxyimidazol-4-yl)acetonitrile?
2-(2-chloro-3-phenylmethoxyimidazol-4-yl)acetonitrile has a molecular weight of 247.69 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-phenylmethoxyimidazol-4-yl)acetonitrile is sourced from PubChem (CID 91623201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).