2-(benzimidazol-1-yl)-N-methyl-1-(3-methylcyclohexyl)ethanamine

C17H25N3 — CID 105155793

IUPAC2-(benzimidazol-1-yl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
SMILESCNC(Cn1cnc2ccccc21)C1CCCC(C)C1
InChIInChI=1S/C17H25N3/c1-13-6-5-7-14(10-13)16(18-2)11-20-12-19-15-8-3-4-9-17(15)20/h3-4,8-9,12-14,16,18H,5-7,10-11H2,1-2H3
InChIKeyBNFHNYQSZHICNR-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.45
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-methyl-1-(3-methylcyclohexyl)ethanamine

2-(benzimidazol-1-yl)-N-methyl-1-(3-methylcyclohexyl)ethanamine (PubChem CID 105155793) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-methyl-1-(3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
PubChem CID105155793
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-(benzimidazol-1-yl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
SMILESCNC(Cn1cnc2ccccc21)C1CCCC(C)C1
InChIInChI=1S/C17H25N3/c1-13-6-5-7-14(10-13)16(18-2)11-20-12-19-15-8-3-4-9-17(15)20/h3-4,8-9,12-14,16,18H,5-7,10-11H2,1-2H3
InChIKeyBNFHNYQSZHICNR-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine
CID 105138856
[2-(benzimidazol-1-yl)-1-cycloheptylethyl]hydrazine
CID 105330603
2-(benzimidazol-1-yl)-1-cyclopentylethanol
CID 113449219
[2-(benzimidazol-1-yl)-1-(3,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105312332
2-(benzimidazol-1-yl)-1-cyclohexylethanol
CID 113449220
2-(benzimidazol-1-yl)-1-cyclohexylethanamine
CID 113448385
1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine
CID 105164987
3-(benzimidazol-1-yl)-N-(1-cyclohexyl-2-hydroxyethyl)propanamide
CID 122230769
(2S)-1-(benzimidazol-1-yl)-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol
CID 124867516
1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine
CID 105152945
1-(benzimidazol-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine
CID 103031337
methyl 2-amino-3-(benzimidazol-1-yl)propanoate
CID 20794416

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-methyl-1-(3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(benzimidazol-1-yl)-N-methyl-1-(3-methylcyclohexyl)ethanamine (CID 105155793) is 2-(benzimidazol-1-yl)-N-methyl-1-(3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-methyl-1-(3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-methyl-1-(3-methylcyclohexyl)ethanamine is CNC(Cn1cnc2ccccc21)C1CCCC(C)C1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-methyl-1-(3-methylcyclohexyl)ethanamine?
The InChIKey is BNFHNYQSZHICNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13-6-5-7-14(10-13)16(18-2)11-20-12-19-15-8-3-4-9-17(15)20/h3-4,8-9,12-14,16,18H,5-7,10-11H2,1-2H3.
What are the key properties of 2-(benzimidazol-1-yl)-N-methyl-1-(3-methylcyclohexyl)ethanamine?
2-(benzimidazol-1-yl)-N-methyl-1-(3-methylcyclohexyl)ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-methyl-1-(3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 105155793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).