N-(3-chloro-2-methylphenyl)-2-[2-(methylamino)-2-oxoethyl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide

C26H21ClF3N5O3 — CID 71267432

IUPACN-(3-chloro-2-methylphenyl)-2-[2-(methylamino)-2-oxoethyl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
SMILESCNC(=O)Cc1nc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C26H21ClF3N5O3/c1-13-18(27)8-5-9-19(13)34-25(38)16-10-14(11-20-23(16)35-21(33-20)12-22(36)31-2)32-24(37)15-6-3-4-7-17(15)26(28,29)30/h3-11H,12H2,1-2H3,(H,31,36)(H,32,37)(H,33,35)(H,34,38)
InChIKeyYNCZOZHYPBDIPE-UHFFFAOYSA-N
MW543.93 g/mol
LogP5.34
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-[2-(methylamino)-2-oxoethyl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide

N-(3-chloro-2-methylphenyl)-2-[2-(methylamino)-2-oxoethyl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide (PubChem CID 71267432) has the molecular formula C26H21ClF3N5O3 and a molecular weight of 543.93 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[2-(methylamino)-2-oxoethyl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[2-(methylamino)-2-oxoethyl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
PubChem CID71267432
Molecular FormulaC26H21ClF3N5O3
Molecular Weight543.93 g/mol
Exact Mass543.13
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[2-(methylamino)-2-oxoethyl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
SMILESCNC(=O)Cc1nc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C26H21ClF3N5O3/c1-13-18(27)8-5-9-19(13)34-25(38)16-10-14(11-20-23(16)35-21(33-20)12-22(36)31-2)32-24(37)15-6-3-4-7-17(15)26(28,29)30/h3-11H,12H2,1-2H3,(H,31,36)(H,32,37)(H,33,35)(H,34,38)
InChIKeyYNCZOZHYPBDIPE-UHFFFAOYSA-N
XLogP5.34
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.93
LogP ≤ 55.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-2-methylphenyl)-2-[2-(methylamino)-2-oxoethyl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[2-(methylamino)-2-oxoethyl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[2-(methylamino)-2-oxoethyl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide (CID 71267432) is N-(3-chloro-2-methylphenyl)-2-[2-(methylamino)-2-oxoethyl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[2-(methylamino)-2-oxoethyl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[2-(methylamino)-2-oxoethyl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide is CNC(=O)Cc1nc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[2-(methylamino)-2-oxoethyl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
The InChIKey is YNCZOZHYPBDIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF3N5O3/c1-13-18(27)8-5-9-19(13)34-25(38)16-10-14(11-20-23(16)35-21(33-20)12-22(36)31-2)32-24(37)15-6-3-4-7-17(15)26(28,29)30/h3-11H,12H2,1-2H3,(H,31,36)(H,32,37)(H,33,35)(H,34,38).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[2-(methylamino)-2-oxoethyl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
N-(3-chloro-2-methylphenyl)-2-[2-(methylamino)-2-oxoethyl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide has a molecular weight of 543.93 g/mol, XLogP of 5.34, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[2-(methylamino)-2-oxoethyl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 71267432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).