1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole

C23H21ClN2 — CID 20930565

IUPAC1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole
SMILESCC(C)c1ccc(-c2nc3ccccc3n2Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C23H21ClN2/c1-16(2)18-10-12-19(13-11-18)23-25-21-8-3-4-9-22(21)26(23)15-17-6-5-7-20(24)14-17/h3-14,16H,15H2,1-2H3
InChIKeyDGAFWOBYAKLXET-UHFFFAOYSA-N
MW360.89 g/mol
LogP6.53
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole

1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole (PubChem CID 20930565) has the molecular formula C23H21ClN2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole
PubChem CID20930565
Molecular FormulaC23H21ClN2
Molecular Weight360.89 g/mol
Exact Mass360.14
IUPAC Name1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole
SMILESCC(C)c1ccc(-c2nc3ccccc3n2Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C23H21ClN2/c1-16(2)18-10-12-19(13-11-18)23-25-21-8-3-4-9-22(21)26(23)15-17-6-5-7-20(24)14-17/h3-14,16H,15H2,1-2H3
InChIKeyDGAFWOBYAKLXET-UHFFFAOYSA-N
XLogP6.53
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 ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole (CID 20930565) is 1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole is CC(C)c1ccc(-c2nc3ccccc3n2Cc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole?
The InChIKey is DGAFWOBYAKLXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2/c1-16(2)18-10-12-19(13-11-18)23-25-21-8-3-4-9-22(21)26(23)15-17-6-5-7-20(24)14-17/h3-14,16H,15H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole?
1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole has a molecular weight of 360.89 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole is sourced from PubChem (CID 20930565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).