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

C15H21N3O — CID 82334793

IUPAC2-(5-ethoxy-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine
SMILESC=CCn1c(CCNC)nc2cc(OCC)ccc21
InChIInChI=1S/C15H21N3O/c1-4-10-18-14-7-6-12(19-5-2)11-13(14)17-15(18)8-9-16-3/h4,6-7,11,16H,1,5,8-10H2,2-3H3
InChIKeyHESPNVWGRZQSJJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.38
Rot. Bonds7

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

2-(5-ethoxy-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine (PubChem CID 82334793) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(5-ethoxy-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-ethoxy-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine
PubChem CID82334793
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(5-ethoxy-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine
SMILESC=CCn1c(CCNC)nc2cc(OCC)ccc21
InChIInChI=1S/C15H21N3O/c1-4-10-18-14-7-6-12(19-5-2)11-13(14)17-15(18)8-9-16-3/h4,6-7,11,16H,1,5,8-10H2,2-3H3
InChIKeyHESPNVWGRZQSJJ-UHFFFAOYSA-N
XLogP2.38
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-ethyl-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine
CID 82333637
4-(5-ethoxy-1-prop-2-enylbenzimidazol-2-yl)butanoic acid
CID 82334652
3-(1-prop-2-enyl-5-propoxybenzimidazol-2-yl)propanoic acid
CID 82334980
2-[2-[2-(methylamino)ethyl]-5-propoxybenzimidazol-1-yl]ethanol
CID 82335082
2-(chloromethyl)-5-methoxy-1-prop-2-enylbenzimidazole
CID 82334561
3-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)propanoic acid
CID 82334264
(5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine
CID 82334703
3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82334661
3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol
CID 82334844
2-(chloromethyl)-5-ethoxy-1-propylbenzimidazole
CID 82334898
2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine
CID 82332923
2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine
CID 82334679

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine?
The IUPAC name of 2-(5-ethoxy-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine (CID 82334793) is 2-(5-ethoxy-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-ethoxy-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-ethoxy-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine is C=CCn1c(CCNC)nc2cc(OCC)ccc21.
What is the InChIKey of 2-(5-ethoxy-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine?
The InChIKey is HESPNVWGRZQSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-10-18-14-7-6-12(19-5-2)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-ethoxy-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine?
2-(5-ethoxy-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 82334793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).