1-benzyl-4-(3-chlorophenyl)-2-(4-chlorophenyl)imidazole

C22H16Cl2N2 — CID 163216978

IUPAC1-benzyl-4-(3-chlorophenyl)-2-(4-chlorophenyl)imidazole
SMILESClc1ccc(-c2nc(-c3cccc(Cl)c3)cn2Cc2ccccc2)cc1
InChIInChI=1S/C22H16Cl2N2/c23-19-11-9-17(10-12-19)22-25-21(18-7-4-8-20(24)13-18)15-26(22)14-16-5-2-1-3-6-16/h1-13,15H,14H2
InChIKeyVPNZTYDWGSOAKT-UHFFFAOYSA-N
MW379.29 g/mol
LogP6.57
Rot. Bonds4

About 1-benzyl-4-(3-chlorophenyl)-2-(4-chlorophenyl)imidazole

1-benzyl-4-(3-chlorophenyl)-2-(4-chlorophenyl)imidazole (PubChem CID 163216978) has the molecular formula C22H16Cl2N2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 1-benzyl-4-(3-chlorophenyl)-2-(4-chlorophenyl)imidazole.

Molecular Properties

Compound Name1-benzyl-4-(3-chlorophenyl)-2-(4-chlorophenyl)imidazole
PubChem CID163216978
Molecular FormulaC22H16Cl2N2
Molecular Weight379.29 g/mol
Exact Mass378.07
IUPAC Name1-benzyl-4-(3-chlorophenyl)-2-(4-chlorophenyl)imidazole
SMILESClc1ccc(-c2nc(-c3cccc(Cl)c3)cn2Cc2ccccc2)cc1
InChIInChI=1S/C22H16Cl2N2/c23-19-11-9-17(10-12-19)22-25-21(18-7-4-8-20(24)13-18)15-26(22)14-16-5-2-1-3-6-16/h1-13,15H,14H2
InChIKeyVPNZTYDWGSOAKT-UHFFFAOYSA-N
XLogP6.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.29
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2-(4-methylphenyl)-4-phenylimidazole
CID 163216980
1-benzyl-2-bromo-4-(4-chlorophenyl)imidazole
CID 163216979
5-(1-benzyl-4-phenylimidazol-2-yl)-1,3-dimethylpyridin-2-one
CID 134306306
2-(3-chlorophenyl)imidazo[2,1-a]isoquinoline
CID 13156067
N'-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-N'-[(4-chlorophenyl)methoxy]propane-1,3-diamine
CID 89142246
2-(4-chlorophenyl)-1,4-diphenylimidazole
CID 44632179
N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]formamide
CID 143161000
4-(3-chlorophenyl)-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole
CID 22148960
2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetic acid
CID 86686613
3-[1-[(4-chlorophenyl)methyl]-4-methylimidazol-2-yl]phenol
CID 83971139
3-(1-benzyl-4-methylimidazol-2-yl)phenol
CID 83971137
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-chlorophenyl)-2-(4-chlorophenyl)imidazole?
The IUPAC name of 1-benzyl-4-(3-chlorophenyl)-2-(4-chlorophenyl)imidazole (CID 163216978) is 1-benzyl-4-(3-chlorophenyl)-2-(4-chlorophenyl)imidazole.
What is the SMILES notation for 1-benzyl-4-(3-chlorophenyl)-2-(4-chlorophenyl)imidazole?
The canonical SMILES for 1-benzyl-4-(3-chlorophenyl)-2-(4-chlorophenyl)imidazole is Clc1ccc(-c2nc(-c3cccc(Cl)c3)cn2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-4-(3-chlorophenyl)-2-(4-chlorophenyl)imidazole?
The InChIKey is VPNZTYDWGSOAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2/c23-19-11-9-17(10-12-19)22-25-21(18-7-4-8-20(24)13-18)15-26(22)14-16-5-2-1-3-6-16/h1-13,15H,14H2.
What are the key properties of 1-benzyl-4-(3-chlorophenyl)-2-(4-chlorophenyl)imidazole?
1-benzyl-4-(3-chlorophenyl)-2-(4-chlorophenyl)imidazole has a molecular weight of 379.29 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-chlorophenyl)-2-(4-chlorophenyl)imidazole is sourced from PubChem (CID 163216978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).