N-(3-chloro-4-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-2-(dimethylamino)-1H-benzimidazole-4-carboxamide

C24H20Cl3N5O2 — CID 71267454

IUPACN-(3-chloro-4-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-2-(dimethylamino)-1H-benzimidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NC(=O)c3cc(Cl)ccc3Cl)cc3[nH]c(N(C)C)nc23)cc1Cl
InChIInChI=1S/C24H20Cl3N5O2/c1-12-4-6-14(10-19(12)27)28-23(34)17-9-15(11-20-21(17)31-24(30-20)32(2)3)29-22(33)16-8-13(25)5-7-18(16)26/h4-11H,1-3H3,(H,28,34)(H,29,33)(H,30,31)
InChIKeyAMKIHJCMSXVIKD-UHFFFAOYSA-N
MW516.82 g/mol
LogP6.40
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-2-(dimethylamino)-1H-benzimidazole-4-carboxamide

N-(3-chloro-4-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-2-(dimethylamino)-1H-benzimidazole-4-carboxamide (PubChem CID 71267454) has the molecular formula C24H20Cl3N5O2 and a molecular weight of 516.82 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-2-(dimethylamino)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-2-(dimethylamino)-1H-benzimidazole-4-carboxamide
PubChem CID71267454
Molecular FormulaC24H20Cl3N5O2
Molecular Weight516.82 g/mol
Exact Mass515.07
IUPAC NameN-(3-chloro-4-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-2-(dimethylamino)-1H-benzimidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NC(=O)c3cc(Cl)ccc3Cl)cc3[nH]c(N(C)C)nc23)cc1Cl
InChIInChI=1S/C24H20Cl3N5O2/c1-12-4-6-14(10-19(12)27)28-23(34)17-9-15(11-20-21(17)31-24(30-20)32(2)3)29-22(33)16-8-13(25)5-7-18(16)26/h4-11H,1-3H3,(H,28,34)(H,29,33)(H,30,31)
InChIKeyAMKIHJCMSXVIKD-UHFFFAOYSA-N
XLogP6.40
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.82
LogP ≤ 56.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-chloro-6-fluorobenzoyl)amino]-N-(3-chloro-4-methylphenyl)-2-(dimethylamino)-1H-benzimidazole-4-carboxamide
CID 90314144
2-chloro-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide
CID 90230053
5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid
CID 63653152
5-acetamido-2-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 885622
N-(3-chloro-2-methylphenyl)-2-cyclopropyl-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide
CID 90229295
2-amino-5-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 28517056
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
N-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 90229340
5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-2-methylbenzamide
CID 82885279
2,5-dichloro-N-(4-chloro-3-hydroxyphenyl)benzamide
CID 64789245
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
2,5-dichloro-N-(3,5-dimethylphenyl)benzamide
CID 965625

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-2-(dimethylamino)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-2-(dimethylamino)-1H-benzimidazole-4-carboxamide (CID 71267454) is N-(3-chloro-4-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-2-(dimethylamino)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-2-(dimethylamino)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-2-(dimethylamino)-1H-benzimidazole-4-carboxamide is Cc1ccc(NC(=O)c2cc(NC(=O)c3cc(Cl)ccc3Cl)cc3[nH]c(N(C)C)nc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-2-(dimethylamino)-1H-benzimidazole-4-carboxamide?
The InChIKey is AMKIHJCMSXVIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl3N5O2/c1-12-4-6-14(10-19(12)27)28-23(34)17-9-15(11-20-21(17)31-24(30-20)32(2)3)29-22(33)16-8-13(25)5-7-18(16)26/h4-11H,1-3H3,(H,28,34)(H,29,33)(H,30,31).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-2-(dimethylamino)-1H-benzimidazole-4-carboxamide?
N-(3-chloro-4-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-2-(dimethylamino)-1H-benzimidazole-4-carboxamide has a molecular weight of 516.82 g/mol, XLogP of 6.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-2-(dimethylamino)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 71267454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).