2-(benzimidazol-1-yl)pentan-3-amine

C12H17N3 — CID 16785487

IUPAC2-(benzimidazol-1-yl)pentan-3-amine
SMILESCCC(N)C(C)n1cnc2ccccc21
InChIInChI=1S/C12H17N3/c1-3-10(13)9(2)15-8-14-11-6-4-5-7-12(11)15/h4-10H,3,13H2,1-2H3
InChIKeyNPGPATLIOZTTMO-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.33
Rot. Bonds3

About 2-(benzimidazol-1-yl)pentan-3-amine

2-(benzimidazol-1-yl)pentan-3-amine (PubChem CID 16785487) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)pentan-3-amine.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)pentan-3-amine
PubChem CID16785487
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(benzimidazol-1-yl)pentan-3-amine
SMILESCCC(N)C(C)n1cnc2ccccc21
InChIInChI=1S/C12H17N3/c1-3-10(13)9(2)15-8-14-11-6-4-5-7-12(11)15/h4-10H,3,13H2,1-2H3
InChIKeyNPGPATLIOZTTMO-UHFFFAOYSA-N
XLogP2.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)pentan-3-amine?
The IUPAC name of 2-(benzimidazol-1-yl)pentan-3-amine (CID 16785487) is 2-(benzimidazol-1-yl)pentan-3-amine.
What is the SMILES notation for 2-(benzimidazol-1-yl)pentan-3-amine?
The canonical SMILES for 2-(benzimidazol-1-yl)pentan-3-amine is CCC(N)C(C)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)pentan-3-amine?
The InChIKey is NPGPATLIOZTTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-10(13)9(2)15-8-14-11-6-4-5-7-12(11)15/h4-10H,3,13H2,1-2H3.
What are the key properties of 2-(benzimidazol-1-yl)pentan-3-amine?
2-(benzimidazol-1-yl)pentan-3-amine has a molecular weight of 203.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)pentan-3-amine is sourced from PubChem (CID 16785487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).