2-(2-methylbenzimidazol-1-yl)-N-propylpropan-1-amine

C14H21N3 — CID 62563525

IUPAC2-(2-methylbenzimidazol-1-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)n1c(C)nc2ccccc21
InChIInChI=1S/C14H21N3/c1-4-9-15-10-11(2)17-12(3)16-13-7-5-6-8-14(13)17/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyGYZKAEXRMCXYOC-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.91
Rot. Bonds5

About 2-(2-methylbenzimidazol-1-yl)-N-propylpropan-1-amine

2-(2-methylbenzimidazol-1-yl)-N-propylpropan-1-amine (PubChem CID 62563525) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-N-propylpropan-1-amine
PubChem CID62563525
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-(2-methylbenzimidazol-1-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)n1c(C)nc2ccccc21
InChIInChI=1S/C14H21N3/c1-4-9-15-10-11(2)17-12(3)16-13-7-5-6-8-14(13)17/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyGYZKAEXRMCXYOC-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
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 2-(2-methylbenzimidazol-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-propylpropan-1-amine (CID 62563525) is 2-(2-methylbenzimidazol-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-N-propylpropan-1-amine is CCCNCC(C)n1c(C)nc2ccccc21.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-N-propylpropan-1-amine?
The InChIKey is GYZKAEXRMCXYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-9-15-10-11(2)17-12(3)16-13-7-5-6-8-14(13)17/h5-8,11,15H,4,9-10H2,1-3H3.
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-N-propylpropan-1-amine?
2-(2-methylbenzimidazol-1-yl)-N-propylpropan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 62563525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).