6-[[2,5-bis(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide;hydrochloride

C26H20Cl2F6N4O3 — CID 71532204

IUPAC6-[[2,5-bis(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide;hydrochloride
SMILESCOCc1nc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3cc(C(F)(F)F)ccc3C(F)(F)F)cc2[nH]1.Cl
InChIInChI=1S/C26H19ClF6N4O3.ClH/c1-12-18(27)4-3-5-19(12)36-24(39)16-9-14(10-20-22(16)37-21(35-20)11-40-2)34-23(38)15-8-13(25(28,29)30)6-7-17(15)26(31,32)33;/h3-10H,11H2,1-2H3,(H,34,38)(H,35,37)(H,36,39);1H
InChIKeyZKHXSDQMLDXLOH-UHFFFAOYSA-N
MW621.37 g/mol
LogP7.64
Rot. Bonds6

About 6-[[2,5-bis(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide;hydrochloride

6-[[2,5-bis(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide;hydrochloride (PubChem CID 71532204) has the molecular formula C26H20Cl2F6N4O3 and a molecular weight of 621.37 g/mol. Its IUPAC name is 6-[[2,5-bis(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-[[2,5-bis(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide;hydrochloride
PubChem CID71532204
Molecular FormulaC26H20Cl2F6N4O3
Molecular Weight621.37 g/mol
Exact Mass620.08
IUPAC Name6-[[2,5-bis(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide;hydrochloride
SMILESCOCc1nc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3cc(C(F)(F)F)ccc3C(F)(F)F)cc2[nH]1.Cl
InChIInChI=1S/C26H19ClF6N4O3.ClH/c1-12-18(27)4-3-5-19(12)36-24(39)16-9-14(10-20-22(16)37-21(35-20)11-40-2)34-23(38)15-8-13(25(28,29)30)6-7-17(15)26(31,32)33;/h3-10H,11H2,1-2H3,(H,34,38)(H,35,37)(H,36,39);1H
InChIKeyZKHXSDQMLDXLOH-UHFFFAOYSA-N
XLogP7.64
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.37
LogP ≤ 57.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[[2,5-bis(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-methyl-4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 157186053
N-(3-cyano-2-methylphenyl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71267520
N-(3-chloro-2-methylphenyl)-2-[(2-methoxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 90229528
6-[(5-butoxy-2-chlorobenzoyl)amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
CID 71267459
N-(2-fluorophenyl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71532252
N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
CID 175751021
N-(2,4-dimethylphenyl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71267492
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
N-(3-chloro-2-methylphenyl)-2-(2-propan-2-yloxyethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71267506
N-(3-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylamino]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 90229338
N-(3-chloro-2-methylphenyl)-2-pyrrolidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 90243704

Frequently Asked Questions

What is the IUPAC name of 6-[[2,5-bis(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide;hydrochloride?
The IUPAC name of 6-[[2,5-bis(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide;hydrochloride (CID 71532204) is 6-[[2,5-bis(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 6-[[2,5-bis(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide;hydrochloride?
The canonical SMILES for 6-[[2,5-bis(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide;hydrochloride is COCc1nc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3cc(C(F)(F)F)ccc3C(F)(F)F)cc2[nH]1.Cl.
What is the InChIKey of 6-[[2,5-bis(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide;hydrochloride?
The InChIKey is ZKHXSDQMLDXLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF6N4O3.ClH/c1-12-18(27)4-3-5-19(12)36-24(39)16-9-14(10-20-22(16)37-21(35-20)11-40-2)34-23(38)15-8-13(25(28,29)30)6-7-17(15)26(31,32)33;/h3-10H,11H2,1-2H3,(H,34,38)(H,35,37)(H,36,39);1H.
What are the key properties of 6-[[2,5-bis(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide;hydrochloride?
6-[[2,5-bis(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide;hydrochloride has a molecular weight of 621.37 g/mol, XLogP of 7.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2,5-bis(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 71532204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).