3-(1-cyclopropylbenzimidazol-5-yl)propan-1-amine

C13H17N3 — CID 82492930

IUPAC3-(1-cyclopropylbenzimidazol-5-yl)propan-1-amine
SMILESNCCCc1ccc2c(c1)ncn2C1CC1
InChIInChI=1S/C13H17N3/c14-7-1-2-10-3-6-13-12(8-10)15-9-16(13)11-4-5-11/h3,6,8-9,11H,1-2,4-5,7,14H2
InChIKeyJFINLAALFVEFLR-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.26
Rot. Bonds4

About 3-(1-cyclopropylbenzimidazol-5-yl)propan-1-amine

3-(1-cyclopropylbenzimidazol-5-yl)propan-1-amine (PubChem CID 82492930) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(1-cyclopropylbenzimidazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-cyclopropylbenzimidazol-5-yl)propan-1-amine
PubChem CID82492930
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-(1-cyclopropylbenzimidazol-5-yl)propan-1-amine
SMILESNCCCc1ccc2c(c1)ncn2C1CC1
InChIInChI=1S/C13H17N3/c14-7-1-2-10-3-6-13-12(8-10)15-9-16(13)11-4-5-11/h3,6,8-9,11H,1-2,4-5,7,14H2
InChIKeyJFINLAALFVEFLR-UHFFFAOYSA-N
XLogP2.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylbenzimidazol-5-yl)propan-1-amine?
The IUPAC name of 3-(1-cyclopropylbenzimidazol-5-yl)propan-1-amine (CID 82492930) is 3-(1-cyclopropylbenzimidazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(1-cyclopropylbenzimidazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(1-cyclopropylbenzimidazol-5-yl)propan-1-amine is NCCCc1ccc2c(c1)ncn2C1CC1.
What is the InChIKey of 3-(1-cyclopropylbenzimidazol-5-yl)propan-1-amine?
The InChIKey is JFINLAALFVEFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c14-7-1-2-10-3-6-13-12(8-10)15-9-16(13)11-4-5-11/h3,6,8-9,11H,1-2,4-5,7,14H2.
What are the key properties of 3-(1-cyclopropylbenzimidazol-5-yl)propan-1-amine?
3-(1-cyclopropylbenzimidazol-5-yl)propan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylbenzimidazol-5-yl)propan-1-amine is sourced from PubChem (CID 82492930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).