N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine

C15H23N3O — CID 79751150

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

About N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine

N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine (PubChem CID 79751150) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine
PubChem CID79751150
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine
SMILESCCNC(COC)Cc1nc2ccccc2n1CC
InChIInChI=1S/C15H23N3O/c1-4-16-12(11-19-3)10-15-17-13-8-6-7-9-14(13)18(15)5-2/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyZSUWUGXUKJOCFA-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-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
CID 79751086
N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine
CID 103516859
1-(1-ethylbenzimidazol-2-yl)-4-methoxybutan-2-ol
CID 79754353
1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105164929
[1-(1-ethylbenzimidazol-2-yl)-3-propan-2-yloxypropan-2-yl]hydrazine
CID 105321101
N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine
CID 105007782
1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79756098
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine
CID 105164972
4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81011531
3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol
CID 116752874
3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine
CID 103516858

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine?
The IUPAC name of N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine (CID 79751150) is N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine?
The canonical SMILES for N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine is CCNC(COC)Cc1nc2ccccc2n1CC.
What is the InChIKey of N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine?
The InChIKey is ZSUWUGXUKJOCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-16-12(11-19-3)10-15-17-13-8-6-7-9-14(13)18(15)5-2/h6-9,12,16H,4-5,10-11H2,1-3H3.
What are the key properties of N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine?
N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-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 N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine is sourced from PubChem (CID 79751150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).