1-(2,3-dimethylcyclohexyl)benzimidazol-5-amine

C15H21N3 — CID 62508321

IUPAC1-(2,3-dimethylcyclohexyl)benzimidazol-5-amine
SMILESCC1CCCC(n2cnc3cc(N)ccc32)C1C
InChIInChI=1S/C15H21N3/c1-10-4-3-5-14(11(10)2)18-9-17-13-8-12(16)6-7-15(13)18/h6-11,14H,3-5,16H2,1-2H3
InChIKeyYLCGJZFBEGWSLX-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.62
Rot. Bonds1

About 1-(2,3-dimethylcyclohexyl)benzimidazol-5-amine

1-(2,3-dimethylcyclohexyl)benzimidazol-5-amine (PubChem CID 62508321) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexyl)benzimidazol-5-amine
PubChem CID62508321
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(2,3-dimethylcyclohexyl)benzimidazol-5-amine
SMILESCC1CCCC(n2cnc3cc(N)ccc32)C1C
InChIInChI=1S/C15H21N3/c1-10-4-3-5-14(11(10)2)18-9-17-13-8-12(16)6-7-15(13)18/h6-11,14H,3-5,16H2,1-2H3
InChIKeyYLCGJZFBEGWSLX-UHFFFAOYSA-N
XLogP3.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-Amino-3-methylimidazo(4,5-f)quinoline
CID 53462
4-(1H-1,3-benzodiazol-1-yl)aniline
CID 5328453
3-(1H-1,3-benzodiazol-1-yl)propan-1-amine
CID 3920849
5,6-dimethyl-1-((4-methylphenyl)methyl)-1H-1,3-benzodiazole
CID 962387
1-Benzyl-1H-benzimidazole
CID 563347
1-(3-Methylphenyl)-1H-benzimidazol-5-amine
CID 1510981
2-Cyclohexyl-1-methylbenzimidazole
CID 2991075
1-phenyl-1H-1,3-benzodiazol-5-amine
CID 965312
2-methyl-1-phenyl-1H-1,3-benzodiazol-5-amine
CID 3422185
1-methyl-1H-1,3-benzodiazol-5-amine
CID 315499
2-Amino-1,7,9-trimethylimidazo(4,5-g)quinoxaline
CID 154686
N-[1-(2-methylphenyl)benzimidazol-5-yl]propanamide
CID 949472

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohexyl)benzimidazol-5-amine?
The IUPAC name of 1-(2,3-dimethylcyclohexyl)benzimidazol-5-amine (CID 62508321) is 1-(2,3-dimethylcyclohexyl)benzimidazol-5-amine.
What is the SMILES notation for 1-(2,3-dimethylcyclohexyl)benzimidazol-5-amine?
The canonical SMILES for 1-(2,3-dimethylcyclohexyl)benzimidazol-5-amine is CC1CCCC(n2cnc3cc(N)ccc32)C1C.
What is the InChIKey of 1-(2,3-dimethylcyclohexyl)benzimidazol-5-amine?
The InChIKey is YLCGJZFBEGWSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-4-3-5-14(11(10)2)18-9-17-13-8-12(16)6-7-15(13)18/h6-11,14H,3-5,16H2,1-2H3.
What are the key properties of 1-(2,3-dimethylcyclohexyl)benzimidazol-5-amine?
1-(2,3-dimethylcyclohexyl)benzimidazol-5-amine has a molecular weight of 243.35 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohexyl)benzimidazol-5-amine is sourced from PubChem (CID 62508321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).