3-ethoxy-N-ethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine

C17H27N3O — CID 116717051

IUPAC3-ethoxy-N-ethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
SMILESCCNC(Cc1nc2ccccc2n1C)C(CC)OCC
InChIInChI=1S/C17H27N3O/c1-5-16(21-7-3)14(18-6-2)12-17-19-13-10-8-9-11-15(13)20(17)4/h8-11,14,16,18H,5-7,12H2,1-4H3
InChIKeyAIMHUUPMNRLIGB-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.91
Rot. Bonds8

About 3-ethoxy-N-ethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine

3-ethoxy-N-ethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine (PubChem CID 116717051) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
PubChem CID116717051
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-ethoxy-N-ethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
SMILESCCNC(Cc1nc2ccccc2n1C)C(CC)OCC
InChIInChI=1S/C17H27N3O/c1-5-16(21-7-3)14(18-6-2)12-17-19-13-10-8-9-11-15(13)20(17)4/h8-11,14,16,18H,5-7,12H2,1-4H3
InChIKeyAIMHUUPMNRLIGB-UHFFFAOYSA-N
XLogP2.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-(1-methylbenzimidazol-2-yl)-N-propylpentan-2-amine
CID 116716179
N-ethyl-3-methoxy-4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116720444
3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116721301
1,1-diethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753376
3-ethoxy-1-(1-methylbenzimidazol-2-yl)butan-2-amine
CID 79751231
N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007583
N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79750698
1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine
CID 79754187
N-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116758110
N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine
CID 103516859
3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine
CID 105007682
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The IUPAC name of 3-ethoxy-N-ethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine (CID 116717051) is 3-ethoxy-N-ethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine is CCNC(Cc1nc2ccccc2n1C)C(CC)OCC.
What is the InChIKey of 3-ethoxy-N-ethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The InChIKey is AIMHUUPMNRLIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-16(21-7-3)14(18-6-2)12-17-19-13-10-8-9-11-15(13)20(17)4/h8-11,14,16,18H,5-7,12H2,1-4H3.
What are the key properties of 3-ethoxy-N-ethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
3-ethoxy-N-ethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine is sourced from PubChem (CID 116717051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).