N-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine

C15H23N3 — CID 62563672

IUPACN-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine
SMILESCCCCCCNCCn1cnc2ccccc21
InChIInChI=1S/C15H23N3/c1-2-3-4-7-10-16-11-12-18-13-17-14-8-5-6-9-15(14)18/h5-6,8-9,13,16H,2-4,7,10-12H2,1H3
InChIKeyFHIRFNAIMCUOPO-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.21
Rot. Bonds8

About N-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine

N-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine (PubChem CID 62563672) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine
PubChem CID62563672
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine
SMILESCCCCCCNCCn1cnc2ccccc21
InChIInChI=1S/C15H23N3/c1-2-3-4-7-10-16-11-12-18-13-17-14-8-5-6-9-15(14)18/h5-6,8-9,13,16H,2-4,7,10-12H2,1H3
InChIKeyFHIRFNAIMCUOPO-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.21
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine?
The IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine (CID 62563672) is N-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine?
The canonical SMILES for N-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine is CCCCCCNCCn1cnc2ccccc21.
What is the InChIKey of N-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine?
The InChIKey is FHIRFNAIMCUOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-3-4-7-10-16-11-12-18-13-17-14-8-5-6-9-15(14)18/h5-6,8-9,13,16H,2-4,7,10-12H2,1H3.
What are the key properties of N-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine?
N-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine is sourced from PubChem (CID 62563672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).