N-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide

C22H18ClN3O — CID 3614184

IUPACN-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide
SMILESCc1cccc(-n2cnc3cc(C(=O)NCc4ccccc4Cl)ccc32)c1
InChIInChI=1S/C22H18ClN3O/c1-15-5-4-7-18(11-15)26-14-25-20-12-16(9-10-21(20)26)22(27)24-13-17-6-2-3-8-19(17)23/h2-12,14H,13H2,1H3,(H,24,27)
InChIKeyMQCHTHJRANYSEJ-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.92
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide

N-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide (PubChem CID 3614184) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide
PubChem CID3614184
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide
SMILESCc1cccc(-n2cnc3cc(C(=O)NCc4ccccc4Cl)ccc32)c1
InChIInChI=1S/C22H18ClN3O/c1-15-5-4-7-18(11-15)26-14-25-20-12-16(9-10-21(20)26)22(27)24-13-17-6-2-3-8-19(17)23/h2-12,14H,13H2,1H3,(H,24,27)
InChIKeyMQCHTHJRANYSEJ-UHFFFAOYSA-N
XLogP4.92
TPSA46.92 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 ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide (CID 3614184) is N-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide is Cc1cccc(-n2cnc3cc(C(=O)NCc4ccccc4Cl)ccc32)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide?
The InChIKey is MQCHTHJRANYSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c1-15-5-4-7-18(11-15)26-14-25-20-12-16(9-10-21(20)26)22(27)24-13-17-6-2-3-8-19(17)23/h2-12,14H,13H2,1H3,(H,24,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide?
N-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 3614184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).