N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-methyl-4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride

C26H23Cl2F3N4O3 — CID 157186053

IUPACN-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-methyl-4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
SMILESCOCc1nc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3ccc(C(F)(F)F)cc3C)cc2[nH]1.Cl
InChIInChI=1S/C26H22ClF3N4O3.ClH/c1-13-9-15(26(28,29)30)7-8-17(13)24(35)31-16-10-18(23-21(11-16)32-22(34-23)12-37-3)25(36)33-20-6-4-5-19(27)14(20)2;/h4-11H,12H2,1-3H3,(H,31,35)(H,32,34)(H,33,36);1H
InChIKeyGXCIIGXUXYDFIR-UHFFFAOYSA-N
MW567.40 g/mol
LogP6.92
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-methyl-4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride

N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-methyl-4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride (PubChem CID 157186053) has the molecular formula C26H23Cl2F3N4O3 and a molecular weight of 567.40 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-methyl-4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-methyl-4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
PubChem CID157186053
Molecular FormulaC26H23Cl2F3N4O3
Molecular Weight567.40 g/mol
Exact Mass566.11
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-methyl-4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
SMILESCOCc1nc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3ccc(C(F)(F)F)cc3C)cc2[nH]1.Cl
InChIInChI=1S/C26H22ClF3N4O3.ClH/c1-13-9-15(26(28,29)30)7-8-17(13)24(35)31-16-10-18(23-21(11-16)32-22(34-23)12-37-3)25(36)33-20-6-4-5-19(27)14(20)2;/h4-11H,12H2,1-3H3,(H,31,35)(H,32,34)(H,33,36);1H
InChIKeyGXCIIGXUXYDFIR-UHFFFAOYSA-N
XLogP6.92
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.40
LogP ≤ 56.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2,5-bis(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide;hydrochloride
CID 71532204
6-[(5-butoxy-2-chlorobenzoyl)amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
CID 71267459
N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
CID 175751021
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-cyano-2-methylphenyl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71267520
N-(2-fluorophenyl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71532252
N-(2,4-dimethylphenyl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71267492
6-[(2-bromo-6-fluorobenzoyl)-methylamino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
CID 71267501
2-chloro-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide
CID 90230053
2-tert-butyl-N-(3-chloro-2-methylphenyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 90229480
2-[bis(2-hydroxyethyl)amino]-N-(3-chloro-2-methylphenyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 90314116
2-(methoxymethyl)-6-[(2-methylbenzoyl)amino]-N-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 118518886

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-methyl-4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-methyl-4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride (CID 157186053) is N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-methyl-4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-methyl-4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-methyl-4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride is COCc1nc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3ccc(C(F)(F)F)cc3C)cc2[nH]1.Cl.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-methyl-4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride?
The InChIKey is GXCIIGXUXYDFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF3N4O3.ClH/c1-13-9-15(26(28,29)30)7-8-17(13)24(35)31-16-10-18(23-21(11-16)32-22(34-23)12-37-3)25(36)33-20-6-4-5-19(27)14(20)2;/h4-11H,12H2,1-3H3,(H,31,35)(H,32,34)(H,33,36);1H.
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-methyl-4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride?
N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-methyl-4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride has a molecular weight of 567.40 g/mol, XLogP of 6.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-methyl-4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 157186053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).