N-ethyl-2-[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]ethanamine

C18H29N3 — CID 82333660

IUPACN-ethyl-2-[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]ethanamine
SMILESCCNCCc1nc2cc(CC)ccc2n1CCC(C)C
InChIInChI=1S/C18H29N3/c1-5-15-7-8-17-16(13-15)20-18(9-11-19-6-2)21(17)12-10-14(3)4/h7-8,13-14,19H,5-6,9-12H2,1-4H3
InChIKeyGTRUWAKFZHQGML-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.80
Rot. Bonds8

About N-ethyl-2-[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]ethanamine

N-ethyl-2-[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]ethanamine (PubChem CID 82333660) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-ethyl-2-[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]ethanamine
PubChem CID82333660
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-ethyl-2-[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]ethanamine
SMILESCCNCCc1nc2cc(CC)ccc2n1CCC(C)C
InChIInChI=1S/C18H29N3/c1-5-15-7-8-17-16(13-15)20-18(9-11-19-6-2)21(17)12-10-14(3)4/h7-8,13-14,19H,5-6,9-12H2,1-4H3
InChIKeyGTRUWAKFZHQGML-UHFFFAOYSA-N
XLogP3.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.80
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-ethyl-1-pentylbenzimidazol-2-yl)ethanamine
CID 82333656
N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333668
N-[2-[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propan-2-amine
CID 82333691
N-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine
CID 82332232
[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]methanethiol
CID 82333880
2-(5-ethyl-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine
CID 82333637
2-(1,5-diethylbenzimidazol-2-yl)ethanamine
CID 82333476
N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 82332259
2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine
CID 62327428
3-cyclopropyl-1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione
CID 20814053
N-ethyl-2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62327256
3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol
CID 82334841

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-2-[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]ethanamine (CID 82333660) is N-ethyl-2-[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]ethanamine is CCNCCc1nc2cc(CC)ccc2n1CCC(C)C.
What is the InChIKey of N-ethyl-2-[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]ethanamine?
The InChIKey is GTRUWAKFZHQGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-5-15-7-8-17-16(13-15)20-18(9-11-19-6-2)21(17)12-10-14(3)4/h7-8,13-14,19H,5-6,9-12H2,1-4H3.
What are the key properties of N-ethyl-2-[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]ethanamine?
N-ethyl-2-[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]ethanamine has a molecular weight of 287.45 g/mol, XLogP of 3.80, 8 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-(3-methylbutyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 82333660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).