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

C22H14Cl4N4O2 — CID 90230053

IUPAC2-chloro-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Cl)cc2[nH]c(Cl)nc12
InChIInChI=1S/C22H14Cl4N4O2/c1-10-15(24)3-2-4-17(10)28-21(32)14-8-12(9-18-19(14)30-22(26)29-18)27-20(31)13-7-11(23)5-6-16(13)25/h2-9H,1H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyTUBNKHJNINUPRR-UHFFFAOYSA-N
MW508.19 g/mol
LogP6.99
Rot. Bonds4

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

2-chloro-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide (PubChem CID 90230053) has the molecular formula C22H14Cl4N4O2 and a molecular weight of 508.19 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide
PubChem CID90230053
Molecular FormulaC22H14Cl4N4O2
Molecular Weight508.19 g/mol
Exact Mass505.99
IUPAC Name2-chloro-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Cl)cc2[nH]c(Cl)nc12
InChIInChI=1S/C22H14Cl4N4O2/c1-10-15(24)3-2-4-17(10)28-21(32)14-8-12(9-18-19(14)30-22(26)29-18)27-20(31)13-7-11(23)5-6-16(13)25/h2-9H,1H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyTUBNKHJNINUPRR-UHFFFAOYSA-N
XLogP6.99
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.19
LogP ≤ 56.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-cyclopropyl-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide
CID 90229295
6-[(5-butoxy-2-chlorobenzoyl)amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
CID 71267459
2-tert-butyl-N-(3-chloro-2-methylphenyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 90229480
N-(3-chloro-4-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-2-(dimethylamino)-1H-benzimidazole-4-carboxamide
CID 71267454
N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-methyl-4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 157186053
N-(3-chloro-2-methylphenyl)-2-pyrrolidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 90243704
1-butyl-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]benzimidazole-4-carboxamide;hydrochloride
CID 174722776
6-[[2,5-bis(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide;hydrochloride
CID 71532204
N-(3-chloro-2-methylphenyl)-2-cyclopentyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71267558
2-[bis(2-hydroxyethyl)amino]-N-(3-chloro-2-methylphenyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 90314116
N-(3-chloro-2-methylphenyl)-2-[(2-methoxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 90229528
N-(3-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylamino]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 90229338

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide (CID 90230053) is 2-chloro-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Cl)cc2[nH]c(Cl)nc12.
What is the InChIKey of 2-chloro-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide?
The InChIKey is TUBNKHJNINUPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl4N4O2/c1-10-15(24)3-2-4-17(10)28-21(32)14-8-12(9-18-19(14)30-22(26)29-18)27-20(31)13-7-11(23)5-6-16(13)25/h2-9H,1H3,(H,27,31)(H,28,32)(H,29,30).
What are the key properties of 2-chloro-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide?
2-chloro-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide has a molecular weight of 508.19 g/mol, XLogP of 6.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 90230053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).