N-(6-chloro-2-fluoro-3-methylphenyl)-5-[[(4,4-dimethylcyclohexyl)amino]methyl]-6-fluoro-1-methylbenzimidazol-2-amine

C24H29ClF2N4 — CID 90916518

IUPACN-(6-chloro-2-fluoro-3-methylphenyl)-5-[[(4,4-dimethylcyclohexyl)amino]methyl]-6-fluoro-1-methylbenzimidazol-2-amine
SMILESCc1ccc(Cl)c(Nc2nc3cc(CNC4CCC(C)(C)CC4)c(F)cc3n2C)c1F
InChIInChI=1S/C24H29ClF2N4/c1-14-5-6-17(25)22(21(14)27)30-23-29-19-11-15(18(26)12-20(19)31(23)4)13-28-16-7-9-24(2,3)10-8-16/h5-6,11-12,16,28H,7-10,13H2,1-4H3,(H,29,30)
InChIKeyNEGLOLZQFXYRPG-UHFFFAOYSA-N
MW446.97 g/mol
LogP6.62
Rot. Bonds5

About N-(6-chloro-2-fluoro-3-methylphenyl)-5-[[(4,4-dimethylcyclohexyl)amino]methyl]-6-fluoro-1-methylbenzimidazol-2-amine

N-(6-chloro-2-fluoro-3-methylphenyl)-5-[[(4,4-dimethylcyclohexyl)amino]methyl]-6-fluoro-1-methylbenzimidazol-2-amine (PubChem CID 90916518) has the molecular formula C24H29ClF2N4 and a molecular weight of 446.97 g/mol. Its IUPAC name is N-(6-chloro-2-fluoro-3-methylphenyl)-5-[[(4,4-dimethylcyclohexyl)amino]methyl]-6-fluoro-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(6-chloro-2-fluoro-3-methylphenyl)-5-[[(4,4-dimethylcyclohexyl)amino]methyl]-6-fluoro-1-methylbenzimidazol-2-amine
PubChem CID90916518
Molecular FormulaC24H29ClF2N4
Molecular Weight446.97 g/mol
Exact Mass446.20
IUPAC NameN-(6-chloro-2-fluoro-3-methylphenyl)-5-[[(4,4-dimethylcyclohexyl)amino]methyl]-6-fluoro-1-methylbenzimidazol-2-amine
SMILESCc1ccc(Cl)c(Nc2nc3cc(CNC4CCC(C)(C)CC4)c(F)cc3n2C)c1F
InChIInChI=1S/C24H29ClF2N4/c1-14-5-6-17(25)22(21(14)27)30-23-29-19-11-15(18(26)12-20(19)31(23)4)13-28-16-7-9-24(2,3)10-8-16/h5-6,11-12,16,28H,7-10,13H2,1-4H3,(H,29,30)
InChIKeyNEGLOLZQFXYRPG-UHFFFAOYSA-N
XLogP6.62
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.97
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(6-chloro-2-fluoro-3-methylphenyl)-5-[[(4,4-dimethylcyclohexyl)amino]methyl]-6-fluoro-1-methylbenzimidazol-2-amine 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

5-[(3-cyclopropylpropylamino)methyl]-N-(2,6-dichlorophenyl)-6-fluoro-1-methylbenzimidazol-2-amine
CID 91273545
N-[[2,4-dichloro-3-[[5-[[(4,4-difluorocyclohexyl)amino]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazol-2-yl]amino]phenyl]methyl]-2,2-dimethylpropanamide
CID 123940270
N-(2,6-dichlorophenyl)-1-methyl-5-[[(4-methylcyclohexyl)amino]methyl]benzimidazol-2-amine
CID 91514130
2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-N-(3,3-difluorocyclobutyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide
CID 56840615
2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide
CID 58562120
N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 106862708
N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083467
N-[2,6-dichloro-3-[(2,2-dimethylpropylamino)methyl]phenyl]-6-(2,2-difluoroethoxy)-1-methyl-5-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]benzimidazol-2-amine
CID 123679187
2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 45137757
2-[6-chloro-3-[(2,2-dimethylpropanoylamino)methyl]-2-fluoroanilino]-6-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]-1-methylbenzimidazole-5-carboxamide
CID 88865644
N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544151
N-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 102985597

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-fluoro-3-methylphenyl)-5-[[(4,4-dimethylcyclohexyl)amino]methyl]-6-fluoro-1-methylbenzimidazol-2-amine?
The IUPAC name of N-(6-chloro-2-fluoro-3-methylphenyl)-5-[[(4,4-dimethylcyclohexyl)amino]methyl]-6-fluoro-1-methylbenzimidazol-2-amine (CID 90916518) is N-(6-chloro-2-fluoro-3-methylphenyl)-5-[[(4,4-dimethylcyclohexyl)amino]methyl]-6-fluoro-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-(6-chloro-2-fluoro-3-methylphenyl)-5-[[(4,4-dimethylcyclohexyl)amino]methyl]-6-fluoro-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-(6-chloro-2-fluoro-3-methylphenyl)-5-[[(4,4-dimethylcyclohexyl)amino]methyl]-6-fluoro-1-methylbenzimidazol-2-amine is Cc1ccc(Cl)c(Nc2nc3cc(CNC4CCC(C)(C)CC4)c(F)cc3n2C)c1F.
What is the InChIKey of N-(6-chloro-2-fluoro-3-methylphenyl)-5-[[(4,4-dimethylcyclohexyl)amino]methyl]-6-fluoro-1-methylbenzimidazol-2-amine?
The InChIKey is NEGLOLZQFXYRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClF2N4/c1-14-5-6-17(25)22(21(14)27)30-23-29-19-11-15(18(26)12-20(19)31(23)4)13-28-16-7-9-24(2,3)10-8-16/h5-6,11-12,16,28H,7-10,13H2,1-4H3,(H,29,30).
What are the key properties of N-(6-chloro-2-fluoro-3-methylphenyl)-5-[[(4,4-dimethylcyclohexyl)amino]methyl]-6-fluoro-1-methylbenzimidazol-2-amine?
N-(6-chloro-2-fluoro-3-methylphenyl)-5-[[(4,4-dimethylcyclohexyl)amino]methyl]-6-fluoro-1-methylbenzimidazol-2-amine has a molecular weight of 446.97 g/mol, XLogP of 6.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-fluoro-3-methylphenyl)-5-[[(4,4-dimethylcyclohexyl)amino]methyl]-6-fluoro-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 90916518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).