5-(1-methylbenzimidazol-2-yl)pentan-1-amine

C13H19N3 — CID 649695

IUPAC5-(1-methylbenzimidazol-2-yl)pentan-1-amine
SMILESCn1c(CCCCCN)nc2ccccc21
InChIInChI=1S/C13H19N3/c1-16-12-8-5-4-7-11(12)15-13(16)9-3-2-6-10-14/h4-5,7-8H,2-3,6,9-10,14H2,1H3
InChIKeyOGPLEHKHDWFFSY-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.24
Rot. Bonds5

About 5-(1-methylbenzimidazol-2-yl)pentan-1-amine

5-(1-methylbenzimidazol-2-yl)pentan-1-amine (PubChem CID 649695) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 5-(1-methylbenzimidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(1-methylbenzimidazol-2-yl)pentan-1-amine
PubChem CID649695
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name5-(1-methylbenzimidazol-2-yl)pentan-1-amine
SMILESCn1c(CCCCCN)nc2ccccc21
InChIInChI=1S/C13H19N3/c1-16-12-8-5-4-7-11(12)15-13(16)9-3-2-6-10-14/h4-5,7-8H,2-3,6,9-10,14H2,1H3
InChIKeyOGPLEHKHDWFFSY-UHFFFAOYSA-N
XLogP2.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.24
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 5-(1-methylbenzimidazol-2-yl)pentan-1-amine?
The IUPAC name of 5-(1-methylbenzimidazol-2-yl)pentan-1-amine (CID 649695) is 5-(1-methylbenzimidazol-2-yl)pentan-1-amine.
What is the SMILES notation for 5-(1-methylbenzimidazol-2-yl)pentan-1-amine?
The canonical SMILES for 5-(1-methylbenzimidazol-2-yl)pentan-1-amine is Cn1c(CCCCCN)nc2ccccc21.
What is the InChIKey of 5-(1-methylbenzimidazol-2-yl)pentan-1-amine?
The InChIKey is OGPLEHKHDWFFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-16-12-8-5-4-7-11(12)15-13(16)9-3-2-6-10-14/h4-5,7-8H,2-3,6,9-10,14H2,1H3.
What are the key properties of 5-(1-methylbenzimidazol-2-yl)pentan-1-amine?
5-(1-methylbenzimidazol-2-yl)pentan-1-amine has a molecular weight of 217.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylbenzimidazol-2-yl)pentan-1-amine is sourced from PubChem (CID 649695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).