1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine

C16H23N3 — CID 105138856

IUPAC1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine
SMILESCNC(CC1CCCC1)Cn1cnc2ccccc21
InChIInChI=1S/C16H23N3/c1-17-14(10-13-6-2-3-7-13)11-19-12-18-15-8-4-5-9-16(15)19/h4-5,8-9,12-14,17H,2-3,6-7,10-11H2,1H3
InChIKeyVTDXMSVSXOMYIU-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.20
Rot. Bonds5

About 1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine

1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine (PubChem CID 105138856) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine
PubChem CID105138856
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine
SMILESCNC(CC1CCCC1)Cn1cnc2ccccc21
InChIInChI=1S/C16H23N3/c1-17-14(10-13-6-2-3-7-13)11-19-12-18-15-8-4-5-9-16(15)19/h4-5,8-9,12-14,17H,2-3,6-7,10-11H2,1H3
InChIKeyVTDXMSVSXOMYIU-UHFFFAOYSA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzimidazol-1-yl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 105155793
1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine
CID 105152945
[2-(benzimidazol-1-yl)-1-cycloheptylethyl]hydrazine
CID 105330603
2-(benzimidazol-1-yl)-1-cyclopentylethanol
CID 113449219
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
[2-(benzimidazol-1-yl)-1-(3,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105312332
[1-(benzimidazol-1-yl)-4-methylpentan-2-yl]hydrazine
CID 105282683
1-(benzimidazol-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine
CID 103031337
1-(benzimidazol-1-yl)-N-methyl-5-methylsulfonylpentan-2-amine
CID 105112839
1-(benzimidazol-1-yl)-5-ethylsulfonyl-N-methylpentan-2-amine
CID 105152492

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine?
The IUPAC name of 1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine (CID 105138856) is 1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine is CNC(CC1CCCC1)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine?
The InChIKey is VTDXMSVSXOMYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-17-14(10-13-6-2-3-7-13)11-19-12-18-15-8-4-5-9-16(15)19/h4-5,8-9,12-14,17H,2-3,6-7,10-11H2,1H3.
What are the key properties of 1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine?
1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine is sourced from PubChem (CID 105138856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).