2-(2,6-dichlorophenyl)-N-methyl-N-(3-methylphenyl)-3H-benzimidazole-5-carboxamide

C22H17Cl2N3O — CID 143659642

IUPAC2-(2,6-dichlorophenyl)-N-methyl-N-(3-methylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCc1cccc(N(C)C(=O)c2ccc3nc(-c4c(Cl)cccc4Cl)[nH]c3c2)c1
InChIInChI=1S/C22H17Cl2N3O/c1-13-5-3-6-15(11-13)27(2)22(28)14-9-10-18-19(12-14)26-21(25-18)20-16(23)7-4-8-17(20)24/h3-12H,1-2H3,(H,25,26)
InChIKeyJLSYTWHFSKYUJG-UHFFFAOYSA-N
MW410.30 g/mol
LogP6.12
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-N-methyl-N-(3-methylphenyl)-3H-benzimidazole-5-carboxamide

2-(2,6-dichlorophenyl)-N-methyl-N-(3-methylphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 143659642) has the molecular formula C22H17Cl2N3O and a molecular weight of 410.30 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-methyl-N-(3-methylphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-methyl-N-(3-methylphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID143659642
Molecular FormulaC22H17Cl2N3O
Molecular Weight410.30 g/mol
Exact Mass409.07
IUPAC Name2-(2,6-dichlorophenyl)-N-methyl-N-(3-methylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCc1cccc(N(C)C(=O)c2ccc3nc(-c4c(Cl)cccc4Cl)[nH]c3c2)c1
InChIInChI=1S/C22H17Cl2N3O/c1-13-5-3-6-15(11-13)27(2)22(28)14-9-10-18-19(12-14)26-21(25-18)20-16(23)7-4-8-17(20)24/h3-12H,1-2H3,(H,25,26)
InChIKeyJLSYTWHFSKYUJG-UHFFFAOYSA-N
XLogP6.12
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.30
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 143659491
2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole
CID 143659620
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone
CID 58156251
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 66965604
2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid;4-methyl-1,3-thiazol-2-amine
CID 172685279
2-(2,6-dimethylphenyl)-N,N-diethyl-3H-benzimidazole-5-carboxamide
CID 143659496
2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 58156336
2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 160994973
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide
CID 25066170
2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 60979200

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-methyl-N-(3-methylphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-methyl-N-(3-methylphenyl)-3H-benzimidazole-5-carboxamide (CID 143659642) is 2-(2,6-dichlorophenyl)-N-methyl-N-(3-methylphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-methyl-N-(3-methylphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-methyl-N-(3-methylphenyl)-3H-benzimidazole-5-carboxamide is Cc1cccc(N(C)C(=O)c2ccc3nc(-c4c(Cl)cccc4Cl)[nH]c3c2)c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-methyl-N-(3-methylphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is JLSYTWHFSKYUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O/c1-13-5-3-6-15(11-13)27(2)22(28)14-9-10-18-19(12-14)26-21(25-18)20-16(23)7-4-8-17(20)24/h3-12H,1-2H3,(H,25,26).
What are the key properties of 2-(2,6-dichlorophenyl)-N-methyl-N-(3-methylphenyl)-3H-benzimidazole-5-carboxamide?
2-(2,6-dichlorophenyl)-N-methyl-N-(3-methylphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 410.30 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-methyl-N-(3-methylphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 143659642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).