2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile

C18H14ClN3 — CID 15099388

IUPAC2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile
SMILESN#CCc1c(Cl)nc(-c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C18H14ClN3/c19-17-16(11-12-20)22(13-14-7-3-1-4-8-14)18(21-17)15-9-5-2-6-10-15/h1-10H,11,13H2
InChIKeyFKXQRILOGWZJKP-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.32
Rot. Bonds4

About 2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile

2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile (PubChem CID 15099388) has the molecular formula C18H14ClN3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile
PubChem CID15099388
Molecular FormulaC18H14ClN3
Molecular Weight307.78 g/mol
Exact Mass307.09
IUPAC Name2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile
SMILESN#CCc1c(Cl)nc(-c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C18H14ClN3/c19-17-16(11-12-20)22(13-14-7-3-1-4-8-14)18(21-17)15-9-5-2-6-10-15/h1-10H,11,13H2
InChIKeyFKXQRILOGWZJKP-UHFFFAOYSA-N
XLogP4.32
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-benzyl-5-chloro-2-(4-fluorophenyl)imidazol-4-yl]acetonitrile
CID 139725996
2-[3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazol-4-yl]acetonitrile
CID 15099395
N-[4-[1-benzyl-4-chloro-5-(cyanomethyl)imidazol-2-yl]phenyl]butanamide
CID 13075835
2-[3-benzyl-5-chloro-2-(3-methoxy-4-phenylmethoxyphenyl)imidazol-4-yl]acetonitrile
CID 13075834
[3-benzyl-5-chloro-2-(4-methylphenyl)imidazol-4-yl]methanol
CID 15099345
2-(5-amino-3-benzyl-2-methylimidazol-4-yl)acetonitrile
CID 98009878
1-benzyl-4,5-dichloro-2-(4-methylphenyl)imidazole
CID 45112125
[5-chloro-3-[(4-nitrophenyl)methyl]-2-phenylimidazol-4-yl]methanol
CID 15099361
2-[2-(4-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid
CID 13075859
2-[3-benzyl-5-chloro-2-(2-hydroxyphenyl)imidazol-4-yl]acetic acid
CID 136888510
(E)-3-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)prop-2-enoic acid
CID 15099439
[3-benzyl-2-[4-(butylamino)phenyl]-5-chloroimidazol-4-yl]methanol
CID 13074103

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile?
The IUPAC name of 2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile (CID 15099388) is 2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile?
The canonical SMILES for 2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile is N#CCc1c(Cl)nc(-c2ccccc2)n1Cc1ccccc1.
What is the InChIKey of 2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile?
The InChIKey is FKXQRILOGWZJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3/c19-17-16(11-12-20)22(13-14-7-3-1-4-8-14)18(21-17)15-9-5-2-6-10-15/h1-10H,11,13H2.
What are the key properties of 2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile?
2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile has a molecular weight of 307.78 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile is sourced from PubChem (CID 15099388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).