6-[(2-chloro-6-fluorobenzoyl)amino]-N-(3-chloro-4-methylphenyl)-2-(dimethylamino)-1H-benzimidazole-4-carboxamide

C24H20Cl2FN5O2 — CID 90314144

IUPAC6-[(2-chloro-6-fluorobenzoyl)amino]-N-(3-chloro-4-methylphenyl)-2-(dimethylamino)-1H-benzimidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NC(=O)c3c(F)cccc3Cl)cc3[nH]c(N(C)C)nc23)cc1Cl
InChIInChI=1S/C24H20Cl2FN5O2/c1-12-7-8-13(10-17(12)26)28-22(33)15-9-14(11-19-21(15)31-24(30-19)32(2)3)29-23(34)20-16(25)5-4-6-18(20)27/h4-11H,1-3H3,(H,28,33)(H,29,34)(H,30,31)
InChIKeyVLGWJWXUKLDNHM-UHFFFAOYSA-N
MW500.36 g/mol
LogP5.89
Rot. Bonds5

About 6-[(2-chloro-6-fluorobenzoyl)amino]-N-(3-chloro-4-methylphenyl)-2-(dimethylamino)-1H-benzimidazole-4-carboxamide

6-[(2-chloro-6-fluorobenzoyl)amino]-N-(3-chloro-4-methylphenyl)-2-(dimethylamino)-1H-benzimidazole-4-carboxamide (PubChem CID 90314144) has the molecular formula C24H20Cl2FN5O2 and a molecular weight of 500.36 g/mol. Its IUPAC name is 6-[(2-chloro-6-fluorobenzoyl)amino]-N-(3-chloro-4-methylphenyl)-2-(dimethylamino)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-[(2-chloro-6-fluorobenzoyl)amino]-N-(3-chloro-4-methylphenyl)-2-(dimethylamino)-1H-benzimidazole-4-carboxamide
PubChem CID90314144
Molecular FormulaC24H20Cl2FN5O2
Molecular Weight500.36 g/mol
Exact Mass499.10
IUPAC Name6-[(2-chloro-6-fluorobenzoyl)amino]-N-(3-chloro-4-methylphenyl)-2-(dimethylamino)-1H-benzimidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NC(=O)c3c(F)cccc3Cl)cc3[nH]c(N(C)C)nc23)cc1Cl
InChIInChI=1S/C24H20Cl2FN5O2/c1-12-7-8-13(10-17(12)26)28-22(33)15-9-14(11-19-21(15)31-24(30-19)32(2)3)29-23(34)20-16(25)5-4-6-18(20)27/h4-11H,1-3H3,(H,28,33)(H,29,34)(H,30,31)
InChIKeyVLGWJWXUKLDNHM-UHFFFAOYSA-N
XLogP5.89
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.36
LogP ≤ 55.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[(2-chloro-6-fluorobenzoyl)amino]-N-(3-chloro-4-methylphenyl)-2-(dimethylamino)-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

N-(3-chloro-4-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-2-(dimethylamino)-1H-benzimidazole-4-carboxamide
CID 71267454
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793467
2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 2086523
N-[4-[(3-chloro-4-methylphenyl)carbamoyl-sulfanylamino]phenyl]-2,6-difluorobenzamide
CID 57291327
2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide
CID 2811607
6-N-(3-chloro-4-methylphenyl)-2-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100769
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
2,6-dichloro-N-(3,4-difluorophenyl)benzamide
CID 4128288
N-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide
CID 43582392
5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide
CID 17102027

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-6-fluorobenzoyl)amino]-N-(3-chloro-4-methylphenyl)-2-(dimethylamino)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-[(2-chloro-6-fluorobenzoyl)amino]-N-(3-chloro-4-methylphenyl)-2-(dimethylamino)-1H-benzimidazole-4-carboxamide (CID 90314144) is 6-[(2-chloro-6-fluorobenzoyl)amino]-N-(3-chloro-4-methylphenyl)-2-(dimethylamino)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-[(2-chloro-6-fluorobenzoyl)amino]-N-(3-chloro-4-methylphenyl)-2-(dimethylamino)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-[(2-chloro-6-fluorobenzoyl)amino]-N-(3-chloro-4-methylphenyl)-2-(dimethylamino)-1H-benzimidazole-4-carboxamide is Cc1ccc(NC(=O)c2cc(NC(=O)c3c(F)cccc3Cl)cc3[nH]c(N(C)C)nc23)cc1Cl.
What is the InChIKey of 6-[(2-chloro-6-fluorobenzoyl)amino]-N-(3-chloro-4-methylphenyl)-2-(dimethylamino)-1H-benzimidazole-4-carboxamide?
The InChIKey is VLGWJWXUKLDNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2FN5O2/c1-12-7-8-13(10-17(12)26)28-22(33)15-9-14(11-19-21(15)31-24(30-19)32(2)3)29-23(34)20-16(25)5-4-6-18(20)27/h4-11H,1-3H3,(H,28,33)(H,29,34)(H,30,31).
What are the key properties of 6-[(2-chloro-6-fluorobenzoyl)amino]-N-(3-chloro-4-methylphenyl)-2-(dimethylamino)-1H-benzimidazole-4-carboxamide?
6-[(2-chloro-6-fluorobenzoyl)amino]-N-(3-chloro-4-methylphenyl)-2-(dimethylamino)-1H-benzimidazole-4-carboxamide has a molecular weight of 500.36 g/mol, XLogP of 5.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-6-fluorobenzoyl)amino]-N-(3-chloro-4-methylphenyl)-2-(dimethylamino)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 90314144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).