3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine

C13H17N3 — CID 79643579

IUPAC3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine
SMILESCNC1CCC(n2cnc3ccccc32)C1
InChIInChI=1S/C13H17N3/c1-14-10-6-7-11(8-10)16-9-15-12-4-2-3-5-13(12)16/h2-5,9-11,14H,6-8H2,1H3
InChIKeyWPIBTUVCKRTIFW-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.35
Rot. Bonds2

About 3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine

3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine (PubChem CID 79643579) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine
PubChem CID79643579
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine
SMILESCNC1CCC(n2cnc3ccccc32)C1
InChIInChI=1S/C13H17N3/c1-14-10-6-7-11(8-10)16-9-15-12-4-2-3-5-13(12)16/h2-5,9-11,14H,6-8H2,1H3
InChIKeyWPIBTUVCKRTIFW-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine?
The IUPAC name of 3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine (CID 79643579) is 3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine is CNC1CCC(n2cnc3ccccc32)C1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine?
The InChIKey is WPIBTUVCKRTIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-14-10-6-7-11(8-10)16-9-15-12-4-2-3-5-13(12)16/h2-5,9-11,14H,6-8H2,1H3.
What are the key properties of 3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine?
3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 79643579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).