3-ethoxy-1-(1-methylbenzimidazol-2-yl)butan-2-amine

C14H21N3O — CID 79751231

IUPAC3-ethoxy-1-(1-methylbenzimidazol-2-yl)butan-2-amine
SMILESCCOC(C)C(N)Cc1nc2ccccc2n1C
InChIInChI=1S/C14H21N3O/c1-4-18-10(2)11(15)9-14-16-12-7-5-6-8-13(12)17(14)3/h5-8,10-11H,4,9,15H2,1-3H3
InChIKeyQKXSVUBWLYPJEA-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.87
Rot. Bonds5

About 3-ethoxy-1-(1-methylbenzimidazol-2-yl)butan-2-amine

3-ethoxy-1-(1-methylbenzimidazol-2-yl)butan-2-amine (PubChem CID 79751231) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-ethoxy-1-(1-methylbenzimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(1-methylbenzimidazol-2-yl)butan-2-amine
PubChem CID79751231
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-ethoxy-1-(1-methylbenzimidazol-2-yl)butan-2-amine
SMILESCCOC(C)C(N)Cc1nc2ccccc2n1C
InChIInChI=1S/C14H21N3O/c1-4-18-10(2)11(15)9-14-16-12-7-5-6-8-13(12)17(14)3/h5-8,10-11H,4,9,15H2,1-3H3
InChIKeyQKXSVUBWLYPJEA-UHFFFAOYSA-N
XLogP1.87
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-diethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753376
1-(1-methylbenzimidazol-2-yl)-3-methylsulfonylbutan-2-amine
CID 105007637
4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79753294
3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116721301
3-ethyl-3-methoxy-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116760727
3-ethoxy-N-ethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116717051
2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride
CID 170893125
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753545
5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79953293
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79753296
3-ethyl-3-N,3-N-dimethyl-1-(1-methylbenzimidazol-2-yl)pentane-2,3-diamine
CID 79757194

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(1-methylbenzimidazol-2-yl)butan-2-amine?
The IUPAC name of 3-ethoxy-1-(1-methylbenzimidazol-2-yl)butan-2-amine (CID 79751231) is 3-ethoxy-1-(1-methylbenzimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(1-methylbenzimidazol-2-yl)butan-2-amine?
The canonical SMILES for 3-ethoxy-1-(1-methylbenzimidazol-2-yl)butan-2-amine is CCOC(C)C(N)Cc1nc2ccccc2n1C.
What is the InChIKey of 3-ethoxy-1-(1-methylbenzimidazol-2-yl)butan-2-amine?
The InChIKey is QKXSVUBWLYPJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-18-10(2)11(15)9-14-16-12-7-5-6-8-13(12)17(14)3/h5-8,10-11H,4,9,15H2,1-3H3.
What are the key properties of 3-ethoxy-1-(1-methylbenzimidazol-2-yl)butan-2-amine?
3-ethoxy-1-(1-methylbenzimidazol-2-yl)butan-2-amine has a molecular weight of 247.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(1-methylbenzimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 79751231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).