3-(2,3-dihydrobenzimidazol-1-yl)-N-methylpropan-1-amine

C11H17N3 — CID 89268995

IUPAC3-(2,3-dihydrobenzimidazol-1-yl)-N-methylpropan-1-amine
SMILESCNCCCN1CNc2ccccc21
InChIInChI=1S/C11H17N3/c1-12-7-4-8-14-9-13-10-5-2-3-6-11(10)14/h2-3,5-6,12-13H,4,7-9H2,1H3
InChIKeyQGFUQAGKLUKQIG-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.49
Rot. Bonds4

About 3-(2,3-dihydrobenzimidazol-1-yl)-N-methylpropan-1-amine

3-(2,3-dihydrobenzimidazol-1-yl)-N-methylpropan-1-amine (PubChem CID 89268995) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-(2,3-dihydrobenzimidazol-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydrobenzimidazol-1-yl)-N-methylpropan-1-amine
PubChem CID89268995
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-(2,3-dihydrobenzimidazol-1-yl)-N-methylpropan-1-amine
SMILESCNCCCN1CNc2ccccc21
InChIInChI=1S/C11H17N3/c1-12-7-4-8-14-9-13-10-5-2-3-6-11(10)14/h2-3,5-6,12-13H,4,7-9H2,1H3
InChIKeyQGFUQAGKLUKQIG-UHFFFAOYSA-N
XLogP1.49
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydrobenzimidazol-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydrobenzimidazol-1-yl)-N-methylpropan-1-amine (CID 89268995) is 3-(2,3-dihydrobenzimidazol-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydrobenzimidazol-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydrobenzimidazol-1-yl)-N-methylpropan-1-amine is CNCCCN1CNc2ccccc21.
What is the InChIKey of 3-(2,3-dihydrobenzimidazol-1-yl)-N-methylpropan-1-amine?
The InChIKey is QGFUQAGKLUKQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-12-7-4-8-14-9-13-10-5-2-3-6-11(10)14/h2-3,5-6,12-13H,4,7-9H2,1H3.
What are the key properties of 3-(2,3-dihydrobenzimidazol-1-yl)-N-methylpropan-1-amine?
3-(2,3-dihydrobenzimidazol-1-yl)-N-methylpropan-1-amine has a molecular weight of 191.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydrobenzimidazol-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 89268995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).