3-[(2-chloro-4-phenylphenyl)methyl]-2-methylbenzimidazole-5-carboxamide

C22H18ClN3O — CID 174361162

IUPAC3-[(2-chloro-4-phenylphenyl)methyl]-2-methylbenzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(N)=O)cc2n1Cc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C22H18ClN3O/c1-14-25-20-10-9-17(22(24)27)12-21(20)26(14)13-18-8-7-16(11-19(18)23)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H2,24,27)
InChIKeyVSTKPGWHUDTHEM-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.81
Rot. Bonds4

About 3-[(2-chloro-4-phenylphenyl)methyl]-2-methylbenzimidazole-5-carboxamide

3-[(2-chloro-4-phenylphenyl)methyl]-2-methylbenzimidazole-5-carboxamide (PubChem CID 174361162) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is 3-[(2-chloro-4-phenylphenyl)methyl]-2-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-chloro-4-phenylphenyl)methyl]-2-methylbenzimidazole-5-carboxamide
PubChem CID174361162
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name3-[(2-chloro-4-phenylphenyl)methyl]-2-methylbenzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(N)=O)cc2n1Cc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C22H18ClN3O/c1-14-25-20-10-9-17(22(24)27)12-21(20)26(14)13-18-8-7-16(11-19(18)23)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H2,24,27)
InChIKeyVSTKPGWHUDTHEM-UHFFFAOYSA-N
XLogP4.81
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-phenylphenyl)methyl]-2-methylbenzimidazole-5-carboxamide?
The IUPAC name of 3-[(2-chloro-4-phenylphenyl)methyl]-2-methylbenzimidazole-5-carboxamide (CID 174361162) is 3-[(2-chloro-4-phenylphenyl)methyl]-2-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 3-[(2-chloro-4-phenylphenyl)methyl]-2-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 3-[(2-chloro-4-phenylphenyl)methyl]-2-methylbenzimidazole-5-carboxamide is Cc1nc2ccc(C(N)=O)cc2n1Cc1ccc(-c2ccccc2)cc1Cl.
What is the InChIKey of 3-[(2-chloro-4-phenylphenyl)methyl]-2-methylbenzimidazole-5-carboxamide?
The InChIKey is VSTKPGWHUDTHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c1-14-25-20-10-9-17(22(24)27)12-21(20)26(14)13-18-8-7-16(11-19(18)23)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H2,24,27).
What are the key properties of 3-[(2-chloro-4-phenylphenyl)methyl]-2-methylbenzimidazole-5-carboxamide?
3-[(2-chloro-4-phenylphenyl)methyl]-2-methylbenzimidazole-5-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-phenylphenyl)methyl]-2-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 174361162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).