N-(2,6-dichlorophenyl)-1-methyl-5-[[(4-methylcyclohexyl)amino]methyl]benzimidazol-2-amine

C22H26Cl2N4 — CID 91514130

IUPACN-(2,6-dichlorophenyl)-1-methyl-5-[[(4-methylcyclohexyl)amino]methyl]benzimidazol-2-amine
SMILESCC1CCC(NCc2ccc3c(c2)nc(Nc2c(Cl)cccc2Cl)n3C)CC1
InChIInChI=1S/C22H26Cl2N4/c1-14-6-9-16(10-7-14)25-13-15-8-11-20-19(12-15)26-22(28(20)2)27-21-17(23)4-3-5-18(21)24/h3-5,8,11-12,14,16,25H,6-7,9-10,13H2,1-2H3,(H,26,27)
InChIKeySKFDTNIQSRLTBZ-UHFFFAOYSA-N
MW417.38 g/mol
LogP6.29
Rot. Bonds5

About N-(2,6-dichlorophenyl)-1-methyl-5-[[(4-methylcyclohexyl)amino]methyl]benzimidazol-2-amine

N-(2,6-dichlorophenyl)-1-methyl-5-[[(4-methylcyclohexyl)amino]methyl]benzimidazol-2-amine (PubChem CID 91514130) has the molecular formula C22H26Cl2N4 and a molecular weight of 417.38 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1-methyl-5-[[(4-methylcyclohexyl)amino]methyl]benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1-methyl-5-[[(4-methylcyclohexyl)amino]methyl]benzimidazol-2-amine
PubChem CID91514130
Molecular FormulaC22H26Cl2N4
Molecular Weight417.38 g/mol
Exact Mass416.15
IUPAC NameN-(2,6-dichlorophenyl)-1-methyl-5-[[(4-methylcyclohexyl)amino]methyl]benzimidazol-2-amine
SMILESCC1CCC(NCc2ccc3c(c2)nc(Nc2c(Cl)cccc2Cl)n3C)CC1
InChIInChI=1S/C22H26Cl2N4/c1-14-6-9-16(10-7-14)25-13-15-8-11-20-19(12-15)26-22(28(20)2)27-21-17(23)4-3-5-18(21)24/h3-5,8,11-12,14,16,25H,6-7,9-10,13H2,1-2H3,(H,26,27)
InChIKeySKFDTNIQSRLTBZ-UHFFFAOYSA-N
XLogP6.29
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.38
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,6-dichlorophenyl)-1-methyl-5-[[(4-methylcyclohexyl)amino]methyl]benzimidazol-2-amine with MolForge

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Related Compounds

N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine
CID 82495021
5-[(3-cyclopropylpropylamino)methyl]-N-(2,6-dichlorophenyl)-6-fluoro-1-methylbenzimidazol-2-amine
CID 91273545
2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide
CID 58562120
N-(6-chloro-2-fluoro-3-methylphenyl)-5-[[(4,4-dimethylcyclohexyl)amino]methyl]-6-fluoro-1-methylbenzimidazol-2-amine
CID 90916518
N-cyclohexyl-2-(2,6-dichloroanilino)-3-methylimidazo[4,5-c]pyridine-6-carboxamide
CID 45138122
N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60790274
2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide
CID 58562143
N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 60836537
N-[(1-ethyl-2-methylbenzimidazol-5-yl)methyl]cyclobutanamine
CID 82497497
N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 81150635
N-(quinolin-7-ylmethyl)cyclopropanamine
CID 78921001
2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 58562391

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1-methyl-5-[[(4-methylcyclohexyl)amino]methyl]benzimidazol-2-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-1-methyl-5-[[(4-methylcyclohexyl)amino]methyl]benzimidazol-2-amine (CID 91514130) is N-(2,6-dichlorophenyl)-1-methyl-5-[[(4-methylcyclohexyl)amino]methyl]benzimidazol-2-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1-methyl-5-[[(4-methylcyclohexyl)amino]methyl]benzimidazol-2-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-1-methyl-5-[[(4-methylcyclohexyl)amino]methyl]benzimidazol-2-amine is CC1CCC(NCc2ccc3c(c2)nc(Nc2c(Cl)cccc2Cl)n3C)CC1.
What is the InChIKey of N-(2,6-dichlorophenyl)-1-methyl-5-[[(4-methylcyclohexyl)amino]methyl]benzimidazol-2-amine?
The InChIKey is SKFDTNIQSRLTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N4/c1-14-6-9-16(10-7-14)25-13-15-8-11-20-19(12-15)26-22(28(20)2)27-21-17(23)4-3-5-18(21)24/h3-5,8,11-12,14,16,25H,6-7,9-10,13H2,1-2H3,(H,26,27).
What are the key properties of N-(2,6-dichlorophenyl)-1-methyl-5-[[(4-methylcyclohexyl)amino]methyl]benzimidazol-2-amine?
N-(2,6-dichlorophenyl)-1-methyl-5-[[(4-methylcyclohexyl)amino]methyl]benzimidazol-2-amine has a molecular weight of 417.38 g/mol, XLogP of 6.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-1-methyl-5-[[(4-methylcyclohexyl)amino]methyl]benzimidazol-2-amine is sourced from PubChem (CID 91514130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).