4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile

C18H14ClN3 — CID 82561420

IUPAC4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2ccnc2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H14ClN3/c19-17-7-5-14(6-8-17)11-18-21-9-10-22(18)13-16-3-1-15(12-20)2-4-16/h1-10H,11,13H2
InChIKeyIIWGJHBKZUZOGB-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.05
Rot. Bonds4

About 4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile

4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile (PubChem CID 82561420) has the molecular formula C18H14ClN3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
PubChem CID82561420
Molecular FormulaC18H14ClN3
Molecular Weight307.78 g/mol
Exact Mass307.09
IUPAC Name4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2ccnc2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H14ClN3/c19-17-7-5-14(6-8-17)11-18-21-9-10-22(18)13-16-3-1-15(12-20)2-4-16/h1-10H,11,13H2
InChIKeyIIWGJHBKZUZOGB-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561404
4-[[2-[(4-methylsulfonylphenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561532
4-[[1-[(3-chloro-4-phenylphenyl)methyl]imidazol-2-yl]methyl]benzonitrile
CID 57045825
4-[[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561544
4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 55048804
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride
CID 2779195
3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzonitrile
CID 82561391
4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 66403439
4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558475
1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561962
4-[(2-cyclopropylimidazol-1-yl)methyl]benzonitrile
CID 82561564
1-[(4-cyanophenyl)methyl]imidazole-2-carboxylic acid
CID 91437687

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile (CID 82561420) is 4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile is N#Cc1ccc(Cn2ccnc2Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile?
The InChIKey is IIWGJHBKZUZOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3/c19-17-7-5-14(6-8-17)11-18-21-9-10-22(18)13-16-3-1-15(12-20)2-4-16/h1-10H,11,13H2.
What are the key properties of 4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile?
4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile has a molecular weight of 307.78 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 82561420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).