4-[[1-[(3-chloro-4-phenylphenyl)methyl]imidazol-2-yl]methyl]benzonitrile

C24H18ClN3 — CID 57045825

IUPAC4-[[1-[(3-chloro-4-phenylphenyl)methyl]imidazol-2-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2nccn2Cc2ccc(-c3ccccc3)c(Cl)c2)cc1
InChIInChI=1S/C24H18ClN3/c25-23-14-20(10-11-22(23)21-4-2-1-3-5-21)17-28-13-12-27-24(28)15-18-6-8-19(16-26)9-7-18/h1-14H,15,17H2
InChIKeyZOPQTQLXMRVVRK-UHFFFAOYSA-N
MW383.88 g/mol
LogP5.71
Rot. Bonds5

About 4-[[1-[(3-chloro-4-phenylphenyl)methyl]imidazol-2-yl]methyl]benzonitrile

4-[[1-[(3-chloro-4-phenylphenyl)methyl]imidazol-2-yl]methyl]benzonitrile (PubChem CID 57045825) has the molecular formula C24H18ClN3 and a molecular weight of 383.88 g/mol. Its IUPAC name is 4-[[1-[(3-chloro-4-phenylphenyl)methyl]imidazol-2-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[1-[(3-chloro-4-phenylphenyl)methyl]imidazol-2-yl]methyl]benzonitrile
PubChem CID57045825
Molecular FormulaC24H18ClN3
Molecular Weight383.88 g/mol
Exact Mass383.12
IUPAC Name4-[[1-[(3-chloro-4-phenylphenyl)methyl]imidazol-2-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2nccn2Cc2ccc(-c3ccccc3)c(Cl)c2)cc1
InChIInChI=1S/C24H18ClN3/c25-23-14-20(10-11-22(23)21-4-2-1-3-5-21)17-28-13-12-27-24(28)15-18-6-8-19(16-26)9-7-18/h1-14H,15,17H2
InChIKeyZOPQTQLXMRVVRK-UHFFFAOYSA-N
XLogP5.71
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.88
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[1-[(3-chloro-4-phenylphenyl)methyl]imidazol-2-yl]methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561420
4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561404
4-[[2-[(4-methylsulfonylphenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561532
3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzonitrile
CID 82561391
4-[[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561544
2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole
CID 82561862
4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzonitrile
CID 82561753
1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine
CID 42656322
4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 55048804
3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
CID 61071786
4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile
CID 67058001
4-[[3-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
CID 18779174

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(3-chloro-4-phenylphenyl)methyl]imidazol-2-yl]methyl]benzonitrile?
The IUPAC name of 4-[[1-[(3-chloro-4-phenylphenyl)methyl]imidazol-2-yl]methyl]benzonitrile (CID 57045825) is 4-[[1-[(3-chloro-4-phenylphenyl)methyl]imidazol-2-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[1-[(3-chloro-4-phenylphenyl)methyl]imidazol-2-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[1-[(3-chloro-4-phenylphenyl)methyl]imidazol-2-yl]methyl]benzonitrile is N#Cc1ccc(Cc2nccn2Cc2ccc(-c3ccccc3)c(Cl)c2)cc1.
What is the InChIKey of 4-[[1-[(3-chloro-4-phenylphenyl)methyl]imidazol-2-yl]methyl]benzonitrile?
The InChIKey is ZOPQTQLXMRVVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3/c25-23-14-20(10-11-22(23)21-4-2-1-3-5-21)17-28-13-12-27-24(28)15-18-6-8-19(16-26)9-7-18/h1-14H,15,17H2.
What are the key properties of 4-[[1-[(3-chloro-4-phenylphenyl)methyl]imidazol-2-yl]methyl]benzonitrile?
4-[[1-[(3-chloro-4-phenylphenyl)methyl]imidazol-2-yl]methyl]benzonitrile has a molecular weight of 383.88 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(3-chloro-4-phenylphenyl)methyl]imidazol-2-yl]methyl]benzonitrile is sourced from PubChem (CID 57045825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).