N-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine

C18H29N3 — CID 82333656

IUPACN-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine
SMILESCCCCCn1c(CCNCC)nc2cc(CC)ccc21
InChIInChI=1S/C18H29N3/c1-4-7-8-13-21-17-10-9-15(5-2)14-16(17)20-18(21)11-12-19-6-3/h9-10,14,19H,4-8,11-13H2,1-3H3
InChIKeyQNDQBZZGKBZCEF-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.94
Rot. Bonds9

About N-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine

N-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine (PubChem CID 82333656) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine
PubChem CID82333656
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine
SMILESCCCCCn1c(CCNCC)nc2cc(CC)ccc21
InChIInChI=1S/C18H29N3/c1-4-7-8-13-21-17-10-9-15(5-2)14-16(17)20-18(21)11-12-19-6-3/h9-10,14,19H,4-8,11-13H2,1-3H3
InChIKeyQNDQBZZGKBZCEF-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.94
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

N-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine
CID 82332232
N-ethyl-2-[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]ethanamine
CID 82333660
N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333668
(5-ethyl-1-heptylbenzimidazol-2-yl)methanamine
CID 82333503
N-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333142
2-ethyl-5-isocyano-1-pentylbenzimidazole
CID 20814039
N-[2-[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propan-2-amine
CID 82333691
3-[2-[(dimethylamino)methyl]-5-ethylbenzimidazol-1-yl]propan-1-amine
CID 82310788
2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol
CID 82333345
2-(5-ethyl-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine
CID 82333637
2-(1,5-diethylbenzimidazol-2-yl)ethanamine
CID 82333476
3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
CID 82332507

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine (CID 82333656) is N-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine is CCCCCn1c(CCNCC)nc2cc(CC)ccc21.
What is the InChIKey of N-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine?
The InChIKey is QNDQBZZGKBZCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-4-7-8-13-21-17-10-9-15(5-2)14-16(17)20-18(21)11-12-19-6-3/h9-10,14,19H,4-8,11-13H2,1-3H3.
What are the key properties of N-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine?
N-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine has a molecular weight of 287.45 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 82333656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).