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

C23H17ClF3N5O2 — CID 175295610

IUPAC6-[amino-[2-(trifluoromethyl)benzoyl]amino]-2-(3-chloro-2-methylphenyl)-1H-benzimidazole-4-carboxamide
SMILESCc1c(Cl)cccc1-c1nc2c(C(N)=O)cc(N(N)C(=O)c3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C23H17ClF3N5O2/c1-11-13(6-4-8-17(11)24)21-30-18-10-12(9-15(20(28)33)19(18)31-21)32(29)22(34)14-5-2-3-7-16(14)23(25,26)27/h2-10H,29H2,1H3,(H2,28,33)(H,30,31)
InChIKeyJRBJNZDCJBPZIU-UHFFFAOYSA-N
MW487.87 g/mol
LogP4.83
Rot. Bonds4

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

6-[amino-[2-(trifluoromethyl)benzoyl]amino]-2-(3-chloro-2-methylphenyl)-1H-benzimidazole-4-carboxamide (PubChem CID 175295610) has the molecular formula C23H17ClF3N5O2 and a molecular weight of 487.87 g/mol. Its IUPAC name is 6-[amino-[2-(trifluoromethyl)benzoyl]amino]-2-(3-chloro-2-methylphenyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-[amino-[2-(trifluoromethyl)benzoyl]amino]-2-(3-chloro-2-methylphenyl)-1H-benzimidazole-4-carboxamide
PubChem CID175295610
Molecular FormulaC23H17ClF3N5O2
Molecular Weight487.87 g/mol
Exact Mass487.10
IUPAC Name6-[amino-[2-(trifluoromethyl)benzoyl]amino]-2-(3-chloro-2-methylphenyl)-1H-benzimidazole-4-carboxamide
SMILESCc1c(Cl)cccc1-c1nc2c(C(N)=O)cc(N(N)C(=O)c3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C23H17ClF3N5O2/c1-11-13(6-4-8-17(11)24)21-30-18-10-12(9-15(20(28)33)19(18)31-21)32(29)22(34)14-5-2-3-7-16(14)23(25,26)27/h2-10H,29H2,1H3,(H2,28,33)(H,30,31)
InChIKeyJRBJNZDCJBPZIU-UHFFFAOYSA-N
XLogP4.83
TPSA118.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.87
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[amino-[2-(trifluoromethyl)benzoyl]amino]-2-(3-chloro-2-methylphenyl)-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

Related Compounds

6-[amino-[2-(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-[(dimethylamino)methyl]-1H-benzimidazole-4-carboxamide
CID 174786812
6-[amino-[2-(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-[(dimethylamino)methyl]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 174786811
6-[amino-[2-(trifluoromethyl)benzoyl]amino]-N-(3-chloro-2-methylphenyl)-2-pyrrolidin-1-yl-1H-benzimidazole-4-carboxamide
CID 174786865
6-[amino-[2-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-N-phenyl-1H-benzimidazole-4-carboxamide
CID 174786730
N-[4-(aminomethyl)phenyl]-6-[amino-[2-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
CID 174786733
2-tert-butyl-N-(3-chloro-2-methylphenyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 90229480
2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide
CID 155676753
2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 69461429
methyl 2-[4-chloro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate
CID 67201064
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-pyrrolidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 90243704

Frequently Asked Questions

What is the IUPAC name of 6-[amino-[2-(trifluoromethyl)benzoyl]amino]-2-(3-chloro-2-methylphenyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-[amino-[2-(trifluoromethyl)benzoyl]amino]-2-(3-chloro-2-methylphenyl)-1H-benzimidazole-4-carboxamide (CID 175295610) is 6-[amino-[2-(trifluoromethyl)benzoyl]amino]-2-(3-chloro-2-methylphenyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-[amino-[2-(trifluoromethyl)benzoyl]amino]-2-(3-chloro-2-methylphenyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-[amino-[2-(trifluoromethyl)benzoyl]amino]-2-(3-chloro-2-methylphenyl)-1H-benzimidazole-4-carboxamide is Cc1c(Cl)cccc1-c1nc2c(C(N)=O)cc(N(N)C(=O)c3ccccc3C(F)(F)F)cc2[nH]1.
What is the InChIKey of 6-[amino-[2-(trifluoromethyl)benzoyl]amino]-2-(3-chloro-2-methylphenyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is JRBJNZDCJBPZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N5O2/c1-11-13(6-4-8-17(11)24)21-30-18-10-12(9-15(20(28)33)19(18)31-21)32(29)22(34)14-5-2-3-7-16(14)23(25,26)27/h2-10H,29H2,1H3,(H2,28,33)(H,30,31).
What are the key properties of 6-[amino-[2-(trifluoromethyl)benzoyl]amino]-2-(3-chloro-2-methylphenyl)-1H-benzimidazole-4-carboxamide?
6-[amino-[2-(trifluoromethyl)benzoyl]amino]-2-(3-chloro-2-methylphenyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 487.87 g/mol, XLogP of 4.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-[2-(trifluoromethyl)benzoyl]amino]-2-(3-chloro-2-methylphenyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 175295610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).