1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine

C15H23N3O — CID 79751086

IUPAC1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
SMILESCCOCC(Cc1nc2ccccc2n1CC)NC
InChIInChI=1S/C15H23N3O/c1-4-18-14-9-7-6-8-13(14)17-15(18)10-12(16-3)11-19-5-2/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyUOSATOHTZBXQPM-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.22
Rot. Bonds7

About 1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine

1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine (PubChem CID 79751086) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
PubChem CID79751086
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
SMILESCCOCC(Cc1nc2ccccc2n1CC)NC
InChIInChI=1S/C15H23N3O/c1-4-18-14-9-7-6-8-13(14)17-15(18)10-12(16-3)11-19-5-2/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyUOSATOHTZBXQPM-UHFFFAOYSA-N
XLogP2.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105164929
N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine
CID 79751150
1-butan-2-ylsulfanyl-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
CID 79757017
[1-(1-ethylbenzimidazol-2-yl)-3-propan-2-yloxypropan-2-yl]hydrazine
CID 105321101
1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79756098
4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine
CID 105164972
1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987126
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-pyridin-2-ylethanamine
CID 79756296
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine
CID 79750551
2-[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 62535348
1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine
CID 105164987

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine (CID 79751086) is 1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine is CCOCC(Cc1nc2ccccc2n1CC)NC.
What is the InChIKey of 1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine?
The InChIKey is UOSATOHTZBXQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-18-14-9-7-6-8-13(14)17-15(18)10-12(16-3)11-19-5-2/h6-9,12,16H,4-5,10-11H2,1-3H3.
What are the key properties of 1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine?
1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 79751086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).