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

C26H24Cl4N4O2 — CID 174722776

IUPAC1-butyl-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]benzimidazole-4-carboxamide;hydrochloride
SMILESCCCCn1cnc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3cc(Cl)ccc3Cl)cc21.Cl
InChIInChI=1S/C26H23Cl3N4O2.ClH/c1-3-4-10-33-14-30-24-19(26(35)32-22-7-5-6-20(28)15(22)2)12-17(13-23(24)33)31-25(34)18-11-16(27)8-9-21(18)29;/h5-9,11-14H,3-4,10H2,1-2H3,(H,31,34)(H,32,35);1H
InChIKeyUDFNEIYGEZBQMZ-UHFFFAOYSA-N
MW566.32 g/mol
LogP8.03
Rot. Bonds7

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

1-butyl-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]benzimidazole-4-carboxamide;hydrochloride (PubChem CID 174722776) has the molecular formula C26H24Cl4N4O2 and a molecular weight of 566.32 g/mol. Its IUPAC name is 1-butyl-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]benzimidazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-butyl-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]benzimidazole-4-carboxamide;hydrochloride
PubChem CID174722776
Molecular FormulaC26H24Cl4N4O2
Molecular Weight566.32 g/mol
Exact Mass564.07
IUPAC Name1-butyl-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]benzimidazole-4-carboxamide;hydrochloride
SMILESCCCCn1cnc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3cc(Cl)ccc3Cl)cc21.Cl
InChIInChI=1S/C26H23Cl3N4O2.ClH/c1-3-4-10-33-14-30-24-19(26(35)32-22-7-5-6-20(28)15(22)2)12-17(13-23(24)33)31-25(34)18-11-16(27)8-9-21(18)29;/h5-9,11-14H,3-4,10H2,1-2H3,(H,31,34)(H,32,35);1H
InChIKeyUDFNEIYGEZBQMZ-UHFFFAOYSA-N
XLogP8.03
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.32
LogP ≤ 58.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide
CID 90230053
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
1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 108886097
N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide
CID 62186612
2,5-dichloro-N-(3,5-dimethylphenyl)benzamide
CID 965625
1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide
CID 107495632
6-(butylamino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109339923
N-(2-acetylphenyl)-2,5-dichlorobenzamide
CID 26067712
N-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179356
N-(3-chloro-2-methylphenyl)-7-methyl-4-oxo-1-propyl-1,8-naphthyridine-3-carboxamide
CID 53087125
2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide
CID 2323396

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]benzimidazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-butyl-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]benzimidazole-4-carboxamide;hydrochloride (CID 174722776) is 1-butyl-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]benzimidazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-butyl-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]benzimidazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-butyl-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]benzimidazole-4-carboxamide;hydrochloride is CCCCn1cnc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3cc(Cl)ccc3Cl)cc21.Cl.
What is the InChIKey of 1-butyl-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]benzimidazole-4-carboxamide;hydrochloride?
The InChIKey is UDFNEIYGEZBQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl3N4O2.ClH/c1-3-4-10-33-14-30-24-19(26(35)32-22-7-5-6-20(28)15(22)2)12-17(13-23(24)33)31-25(34)18-11-16(27)8-9-21(18)29;/h5-9,11-14H,3-4,10H2,1-2H3,(H,31,34)(H,32,35);1H.
What are the key properties of 1-butyl-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]benzimidazole-4-carboxamide;hydrochloride?
1-butyl-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]benzimidazole-4-carboxamide;hydrochloride has a molecular weight of 566.32 g/mol, XLogP of 8.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]benzimidazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 174722776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).