N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide

C24H27ClF2N4O — CID 58562268

IUPACN-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide
SMILESCC(C)(C)C1CCC(NC(=O)c2cc3nc(Nc4c(F)cccc4Cl)[nH]c3cc2F)CC1
InChIInChI=1S/C24H27ClF2N4O/c1-24(2,3)13-7-9-14(10-8-13)28-22(32)15-11-19-20(12-18(15)27)30-23(29-19)31-21-16(25)5-4-6-17(21)26/h4-6,11-14H,7-10H2,1-3H3,(H,28,32)(H2,29,30,31)
InChIKeyGBQUWECMNLLZJM-UHFFFAOYSA-N
MW460.96 g/mol
LogP6.57
Rot. Bonds4

About N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide

N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide (PubChem CID 58562268) has the molecular formula C24H27ClF2N4O and a molecular weight of 460.96 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide
PubChem CID58562268
Molecular FormulaC24H27ClF2N4O
Molecular Weight460.96 g/mol
Exact Mass460.18
IUPAC NameN-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide
SMILESCC(C)(C)C1CCC(NC(=O)c2cc3nc(Nc4c(F)cccc4Cl)[nH]c3cc2F)CC1
InChIInChI=1S/C24H27ClF2N4O/c1-24(2,3)13-7-9-14(10-8-13)28-22(32)15-11-19-20(12-18(15)27)30-23(29-19)31-21-16(25)5-4-6-17(21)26/h4-6,11-14H,7-10H2,1-3H3,(H,28,32)(H2,29,30,31)
InChIKeyGBQUWECMNLLZJM-UHFFFAOYSA-N
XLogP6.57
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.96
LogP ≤ 56.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-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

tert-butylcyclohexane;2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide
CID 143961965
2-(2,6-dichloroanilino)-N-(2,2-difluorocyclohexyl)-6-fluoro-1H-benzimidazole-5-carboxamide
CID 161120436
2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 45137916
2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 45137757
N-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide
CID 45137009
2-(2,6-dichloroanilino)-6-fluoro-N-(1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-1H-benzimidazole-5-carboxamide
CID 45137301
2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide
CID 58562120
1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea
CID 108896615
2-(2-chloro-6-fluoroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 45137819
N-(4-tert-butylcyclohexyl)-5-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-4-carboxamide
CID 70809851
2-(2,6-dichloro-3-methylanilino)-5-(4-fluoropiperidin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 88538418
N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide;carbonic acid
CID 22076120

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide?
The IUPAC name of N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide (CID 58562268) is N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide is CC(C)(C)C1CCC(NC(=O)c2cc3nc(Nc4c(F)cccc4Cl)[nH]c3cc2F)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide?
The InChIKey is GBQUWECMNLLZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClF2N4O/c1-24(2,3)13-7-9-14(10-8-13)28-22(32)15-11-19-20(12-18(15)27)30-23(29-19)31-21-16(25)5-4-6-17(21)26/h4-6,11-14H,7-10H2,1-3H3,(H,28,32)(H2,29,30,31).
What are the key properties of N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide?
N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide has a molecular weight of 460.96 g/mol, XLogP of 6.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 58562268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).