N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine

C17H27N3 — CID 82333668

IUPACN-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNCCc1nc2cc(CC)ccc2n1CCC
InChIInChI=1S/C17H27N3/c1-4-10-18-11-9-17-19-15-13-14(6-3)7-8-16(15)20(17)12-5-2/h7-8,13,18H,4-6,9-12H2,1-3H3
InChIKeyWGALUOJWFZDRGL-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.55
Rot. Bonds8

About N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine

N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 82333668) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine
PubChem CID82333668
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNCCc1nc2cc(CC)ccc2n1CCC
InChIInChI=1S/C17H27N3/c1-4-10-18-11-9-17-19-15-13-14(6-3)7-8-16(15)20(17)12-5-2/h7-8,13,18H,4-6,9-12H2,1-3H3
InChIKeyWGALUOJWFZDRGL-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine
CID 82333656
N-ethyl-2-[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]ethanamine
CID 82333660
N-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333142
N-[2-[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propan-2-amine
CID 82333691
2-(5-ethyl-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine
CID 82333637
N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propan-1-amine
CID 95419153
2-(1,5-diethylbenzimidazol-2-yl)ethanamine
CID 82333476
N-[2-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)ethyl]propan-1-amine
CID 82335320
(5-ethyl-1-heptylbenzimidazol-2-yl)methanamine
CID 82333503
[2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 65037745
4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol
CID 79199391
N-[2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82334086

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine (CID 82333668) is N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine is CCCNCCc1nc2cc(CC)ccc2n1CCC.
What is the InChIKey of N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is WGALUOJWFZDRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-4-10-18-11-9-17-19-15-13-14(6-3)7-8-16(15)20(17)12-5-2/h7-8,13,18H,4-6,9-12H2,1-3H3.
What are the key properties of N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine?
N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 82333668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).