2-[(2-chlorophenyl)methyl]-1-[(2,5-dimethylphenyl)methyl]benzimidazole

C23H21ClN2 — CID 16995673

IUPAC2-[(2-chlorophenyl)methyl]-1-[(2,5-dimethylphenyl)methyl]benzimidazole
SMILESCc1ccc(C)c(Cn2c(Cc3ccccc3Cl)nc3ccccc32)c1
InChIInChI=1S/C23H21ClN2/c1-16-11-12-17(2)19(13-16)15-26-22-10-6-5-9-21(22)25-23(26)14-18-7-3-4-8-20(18)24/h3-13H,14-15H2,1-2H3
InChIKeyDGRWJXMCFYFMOV-UHFFFAOYSA-N
MW360.89 g/mol
LogP5.95
Rot. Bonds4

About 2-[(2-chlorophenyl)methyl]-1-[(2,5-dimethylphenyl)methyl]benzimidazole

2-[(2-chlorophenyl)methyl]-1-[(2,5-dimethylphenyl)methyl]benzimidazole (PubChem CID 16995673) has the molecular formula C23H21ClN2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-1-[(2,5-dimethylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-1-[(2,5-dimethylphenyl)methyl]benzimidazole
PubChem CID16995673
Molecular FormulaC23H21ClN2
Molecular Weight360.89 g/mol
Exact Mass360.14
IUPAC Name2-[(2-chlorophenyl)methyl]-1-[(2,5-dimethylphenyl)methyl]benzimidazole
SMILESCc1ccc(C)c(Cn2c(Cc3ccccc3Cl)nc3ccccc32)c1
InChIInChI=1S/C23H21ClN2/c1-16-11-12-17(2)19(13-16)15-26-22-10-6-5-9-21(22)25-23(26)14-18-7-3-4-8-20(18)24/h3-13H,14-15H2,1-2H3
InChIKeyDGRWJXMCFYFMOV-UHFFFAOYSA-N
XLogP5.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole
CID 962442
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 17032461
2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16995712
2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 17001968
2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 29075827
2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole
CID 16995768
2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole
CID 16995695
N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
CID 16985043
2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 18878588
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 962448
N-[[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972214

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-1-[(2,5-dimethylphenyl)methyl]benzimidazole?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-1-[(2,5-dimethylphenyl)methyl]benzimidazole (CID 16995673) is 2-[(2-chlorophenyl)methyl]-1-[(2,5-dimethylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-1-[(2,5-dimethylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-1-[(2,5-dimethylphenyl)methyl]benzimidazole is Cc1ccc(C)c(Cn2c(Cc3ccccc3Cl)nc3ccccc32)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-1-[(2,5-dimethylphenyl)methyl]benzimidazole?
The InChIKey is DGRWJXMCFYFMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2/c1-16-11-12-17(2)19(13-16)15-26-22-10-6-5-9-21(22)25-23(26)14-18-7-3-4-8-20(18)24/h3-13H,14-15H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-1-[(2,5-dimethylphenyl)methyl]benzimidazole?
2-[(2-chlorophenyl)methyl]-1-[(2,5-dimethylphenyl)methyl]benzimidazole has a molecular weight of 360.89 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-1-[(2,5-dimethylphenyl)methyl]benzimidazole is sourced from PubChem (CID 16995673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).