2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole

C22H19ClN2 — CID 17001968

IUPAC2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole
SMILESCc1ccc(C)c(Cn2c(-c3cccc(Cl)c3)nc3ccccc32)c1
InChIInChI=1S/C22H19ClN2/c1-15-10-11-16(2)18(12-15)14-25-21-9-4-3-8-20(21)24-22(25)17-6-5-7-19(23)13-17/h3-13H,14H2,1-2H3
InChIKeyOJJRQLSJMPIKGH-UHFFFAOYSA-N
MW346.86 g/mol
LogP6.02
Rot. Bonds3

About 2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole

2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole (PubChem CID 17001968) has the molecular formula C22H19ClN2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole
PubChem CID17001968
Molecular FormulaC22H19ClN2
Molecular Weight346.86 g/mol
Exact Mass346.12
IUPAC Name2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole
SMILESCc1ccc(C)c(Cn2c(-c3cccc(Cl)c3)nc3ccccc32)c1
InChIInChI=1S/C22H19ClN2/c1-15-10-11-16(2)18(12-15)14-25-21-9-4-3-8-20(21)24-22(25)17-6-5-7-19(23)13-17/h3-13H,14H2,1-2H3
InChIKeyOJJRQLSJMPIKGH-UHFFFAOYSA-N
XLogP6.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.86
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 17000755
1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole
CID 962442
2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 4202224
2-[(2-chlorophenyl)methyl]-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 16995673
1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole
CID 1320430
2-(3-chlorophenyl)-1-octylbenzimidazole
CID 17001958
2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 18878588
3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol
CID 82149518
2-[2-(3-chlorophenyl)benzimidazol-1-yl]ethanethioamide
CID 39151422
3-[2-(3-chlorophenyl)benzimidazol-1-yl]propanenitrile
CID 82144803
3-[2-(3-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
CID 82144799
2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 17002021

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole?
The IUPAC name of 2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole (CID 17001968) is 2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole is Cc1ccc(C)c(Cn2c(-c3cccc(Cl)c3)nc3ccccc32)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole?
The InChIKey is OJJRQLSJMPIKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2/c1-15-10-11-16(2)18(12-15)14-25-21-9-4-3-8-20(21)24-22(25)17-6-5-7-19(23)13-17/h3-13H,14H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole?
2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole has a molecular weight of 346.86 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole is sourced from PubChem (CID 17001968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).