4-[[3-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile

C24H17ClFN3 — CID 18779174

IUPAC4-[[3-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2cncn2Cc2ccc(-c3ccc(F)cc3Cl)cc2)cc1
InChIInChI=1S/C24H17ClFN3/c25-24-12-21(26)9-10-23(24)20-7-5-19(6-8-20)15-29-16-28-14-22(29)11-17-1-3-18(13-27)4-2-17/h1-10,12,14,16H,11,15H2
InChIKeyYHGOUUFAKZOCHR-UHFFFAOYSA-N
MW401.87 g/mol
LogP5.85
Rot. Bonds5

About 4-[[3-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile

4-[[3-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile (PubChem CID 18779174) has the molecular formula C24H17ClFN3 and a molecular weight of 401.87 g/mol. Its IUPAC name is 4-[[3-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[3-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
PubChem CID18779174
Molecular FormulaC24H17ClFN3
Molecular Weight401.87 g/mol
Exact Mass401.11
IUPAC Name4-[[3-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2cncn2Cc2ccc(-c3ccc(F)cc3Cl)cc2)cc1
InChIInChI=1S/C24H17ClFN3/c25-24-12-21(26)9-10-23(24)20-7-5-19(6-8-20)15-29-16-28-14-22(29)11-17-1-3-18(13-27)4-2-17/h1-10,12,14,16H,11,15H2
InChIKeyYHGOUUFAKZOCHR-UHFFFAOYSA-N
XLogP5.85
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.87
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-[[4-[2-(trifluoromethoxy)phenyl]phenyl]methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride
CID 70297083
4-[[3-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
CID 22254300
4-[[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride
CID 70342547
4-[[5-[(methylideneamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 90951320
4-[[5-(2-oxopropyl)imidazol-1-yl]methyl]benzonitrile
CID 139898426
4-[[1-[(3-chloro-4-phenylphenyl)methyl]imidazol-2-yl]methyl]benzonitrile
CID 57045825
2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetic acid;hydrobromide
CID 70230844
4-[[5-[2-[(2-chlorophenyl)methylamino]ethyl]imidazol-1-yl]methyl]benzonitrile
CID 141033992
4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561404
4-[[5-[(4-phenyl-1,3-thiazol-2-yl)methyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride
CID 70342191
4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile
CID 15895919
4-[[3-[[2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]-4-pyridinyl]methyl]imidazol-4-yl]methyl]benzonitrile
CID 70276561

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile?
The IUPAC name of 4-[[3-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile (CID 18779174) is 4-[[3-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[3-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[3-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile is N#Cc1ccc(Cc2cncn2Cc2ccc(-c3ccc(F)cc3Cl)cc2)cc1.
What is the InChIKey of 4-[[3-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile?
The InChIKey is YHGOUUFAKZOCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3/c25-24-12-21(26)9-10-23(24)20-7-5-19(6-8-20)15-29-16-28-14-22(29)11-17-1-3-18(13-27)4-2-17/h1-10,12,14,16H,11,15H2.
What are the key properties of 4-[[3-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile?
4-[[3-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile has a molecular weight of 401.87 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile is sourced from PubChem (CID 18779174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).