3-(1H-benzimidazol-2-yl)-N-methylpropan-1-amine

C11H15N3 — CID 3145400

IUPAC3-(1H-benzimidazol-2-yl)-N-methylpropan-1-amine
SMILESCNCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H15N3/c1-12-8-4-7-11-13-9-5-2-3-6-10(9)14-11/h2-3,5-6,12H,4,7-8H2,1H3,(H,13,14)
InChIKeyVMZCBGQDEWCDBV-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.71
Rot. Bonds4

About 3-(1H-benzimidazol-2-yl)-N-methylpropan-1-amine

3-(1H-benzimidazol-2-yl)-N-methylpropan-1-amine (PubChem CID 3145400) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-methylpropan-1-amine
PubChem CID3145400
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-(1H-benzimidazol-2-yl)-N-methylpropan-1-amine
SMILESCNCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H15N3/c1-12-8-4-7-11-13-9-5-2-3-6-10(9)14-11/h2-3,5-6,12H,4,7-8H2,1H3,(H,13,14)
InChIKeyVMZCBGQDEWCDBV-UHFFFAOYSA-N
XLogP1.71
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1H-benzimidazol-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-methylpropan-1-amine (CID 3145400) is 3-(1H-benzimidazol-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-methylpropan-1-amine is CNCCCc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-methylpropan-1-amine?
The InChIKey is VMZCBGQDEWCDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-12-8-4-7-11-13-9-5-2-3-6-10(9)14-11/h2-3,5-6,12H,4,7-8H2,1H3,(H,13,14).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-methylpropan-1-amine?
3-(1H-benzimidazol-2-yl)-N-methylpropan-1-amine has a molecular weight of 189.26 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 3145400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).