3-(benzimidazol-1-yl)propan-1-amine

C10H13N3 — CID 3920849

IUPAC3-(benzimidazol-1-yl)propan-1-amine
SMILESNCCCn1cnc2ccccc21
InChIInChI=1S/C10H13N3/c11-6-3-7-13-8-12-9-4-1-2-5-10(9)13/h1-2,4-5,8H,3,6-7,11H2
InChIKeyZPIGBNBDPBKNCO-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.39
Rot. Bonds3

About 3-(benzimidazol-1-yl)propan-1-amine

3-(benzimidazol-1-yl)propan-1-amine (PubChem CID 3920849) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)propan-1-amine
PubChem CID3920849
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name3-(benzimidazol-1-yl)propan-1-amine
SMILESNCCCn1cnc2ccccc21
InChIInChI=1S/C10H13N3/c11-6-3-7-13-8-12-9-4-1-2-5-10(9)13/h1-2,4-5,8H,3,6-7,11H2
InChIKeyZPIGBNBDPBKNCO-UHFFFAOYSA-N
XLogP1.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.39
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)propan-1-amine?
The IUPAC name of 3-(benzimidazol-1-yl)propan-1-amine (CID 3920849) is 3-(benzimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(benzimidazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(benzimidazol-1-yl)propan-1-amine is NCCCn1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)propan-1-amine?
The InChIKey is ZPIGBNBDPBKNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c11-6-3-7-13-8-12-9-4-1-2-5-10(9)13/h1-2,4-5,8H,3,6-7,11H2.
What are the key properties of 3-(benzimidazol-1-yl)propan-1-amine?
3-(benzimidazol-1-yl)propan-1-amine has a molecular weight of 175.24 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 3920849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).