1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole

C21H16Cl2N2 — CID 18879503

IUPAC1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole
SMILESCc1ccccc1-c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H16Cl2N2/c1-14-6-2-3-7-16(14)21-24-19-8-4-5-9-20(19)25(21)13-15-10-11-17(22)18(23)12-15/h2-12H,13H2,1H3
InChIKeyXBNPPVYQFGGFNB-UHFFFAOYSA-N
MW367.28 g/mol
LogP6.37
Rot. Bonds3

About 1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole

1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole (PubChem CID 18879503) has the molecular formula C21H16Cl2N2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole
PubChem CID18879503
Molecular FormulaC21H16Cl2N2
Molecular Weight367.28 g/mol
Exact Mass366.07
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole
SMILESCc1ccccc1-c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H16Cl2N2/c1-14-6-2-3-7-16(14)21-24-19-8-4-5-9-20(19)25(21)13-15-10-11-17(22)18(23)12-15/h2-12H,13H2,1H3
InChIKeyXBNPPVYQFGGFNB-UHFFFAOYSA-N
XLogP6.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.28
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole (CID 18879503) is 1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole is Cc1ccccc1-c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole?
The InChIKey is XBNPPVYQFGGFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2/c1-14-6-2-3-7-16(14)21-24-19-8-4-5-9-20(19)25(21)13-15-10-11-17(22)18(23)12-15/h2-12H,13H2,1H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole?
1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole has a molecular weight of 367.28 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole is sourced from PubChem (CID 18879503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).