2-(5-ethyl-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine

C15H21N3 — CID 82333637

IUPAC2-(5-ethyl-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine
SMILESC=CCn1c(CCNC)nc2cc(CC)ccc21
InChIInChI=1S/C15H21N3/c1-4-10-18-14-7-6-12(5-2)11-13(14)17-15(18)8-9-16-3/h4,6-7,11,16H,1,5,8-10H2,2-3H3
InChIKeyKCYJLPUKKUJCHN-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.55
Rot. Bonds6

About 2-(5-ethyl-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine

2-(5-ethyl-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine (PubChem CID 82333637) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(5-ethyl-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-ethyl-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine
PubChem CID82333637
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-(5-ethyl-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine
SMILESC=CCn1c(CCNC)nc2cc(CC)ccc21
InChIInChI=1S/C15H21N3/c1-4-10-18-14-7-6-12(5-2)11-13(14)17-15(18)8-9-16-3/h4,6-7,11,16H,1,5,8-10H2,2-3H3
InChIKeyKCYJLPUKKUJCHN-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine?
The IUPAC name of 2-(5-ethyl-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine (CID 82333637) is 2-(5-ethyl-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-ethyl-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-ethyl-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine is C=CCn1c(CCNC)nc2cc(CC)ccc21.
What is the InChIKey of 2-(5-ethyl-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine?
The InChIKey is KCYJLPUKKUJCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-10-18-14-7-6-12(5-2)11-13(14)17-15(18)8-9-16-3/h4,6-7,11,16H,1,5,8-10H2,2-3H3.
What are the key properties of 2-(5-ethyl-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine?
2-(5-ethyl-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 82333637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).