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

C12H17N3 — CID 83046427

IUPAC2-(benzimidazol-1-yl)pentan-1-amine
SMILESCCCC(CN)n1cnc2ccccc21
InChIInChI=1S/C12H17N3/c1-2-5-10(8-13)15-9-14-11-6-3-4-7-12(11)15/h3-4,6-7,9-10H,2,5,8,13H2,1H3
InChIKeyUSPHLWPMWZWZIU-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.34
Rot. Bonds4

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

2-(benzimidazol-1-yl)pentan-1-amine (PubChem CID 83046427) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)pentan-1-amine.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)pentan-1-amine
PubChem CID83046427
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(benzimidazol-1-yl)pentan-1-amine
SMILESCCCC(CN)n1cnc2ccccc21
InChIInChI=1S/C12H17N3/c1-2-5-10(8-13)15-9-14-11-6-3-4-7-12(11)15/h3-4,6-7,9-10H,2,5,8,13H2,1H3
InChIKeyUSPHLWPMWZWZIU-UHFFFAOYSA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.34
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-1-amine?
The IUPAC name of 2-(benzimidazol-1-yl)pentan-1-amine (CID 83046427) is 2-(benzimidazol-1-yl)pentan-1-amine.
What is the SMILES notation for 2-(benzimidazol-1-yl)pentan-1-amine?
The canonical SMILES for 2-(benzimidazol-1-yl)pentan-1-amine is CCCC(CN)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)pentan-1-amine?
The InChIKey is USPHLWPMWZWZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-5-10(8-13)15-9-14-11-6-3-4-7-12(11)15/h3-4,6-7,9-10H,2,5,8,13H2,1H3.
What are the key properties of 2-(benzimidazol-1-yl)pentan-1-amine?
2-(benzimidazol-1-yl)pentan-1-amine has a molecular weight of 203.29 g/mol, XLogP of 2.34, 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)pentan-1-amine is sourced from PubChem (CID 83046427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).