4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine

C15H23N3O — CID 105164972

IUPAC4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine
SMILESCCOCCC(N)Cc1nc2ccccc2n1CC
InChIInChI=1S/C15H23N3O/c1-3-18-14-8-6-5-7-13(14)17-15(18)11-12(16)9-10-19-4-2/h5-8,12H,3-4,9-11,16H2,1-2H3
InChIKeyUMARRBNZMPEDRY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.35
Rot. Bonds7

About 4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine

4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine (PubChem CID 105164972) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine
PubChem CID105164972
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine
SMILESCCOCCC(N)Cc1nc2ccccc2n1CC
InChIInChI=1S/C15H23N3O/c1-3-18-14-8-6-5-7-13(14)17-15(18)11-12(16)9-10-19-4-2/h5-8,12H,3-4,9-11,16H2,1-2H3
InChIKeyUMARRBNZMPEDRY-UHFFFAOYSA-N
XLogP2.35
TPSA53.07 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
CID 79751086
4-(2,2-difluoroethoxy)-1-(1-ethylbenzimidazol-2-yl)butan-2-ol
CID 103147708
1-(1-ethylbenzimidazol-2-yl)-4-methoxybutan-2-ol
CID 79754353
1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79756098
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine
CID 79751150
ethyl 2-[(1-ethylbenzimidazol-2-yl)methyl]butanoate
CID 79753663
1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine
CID 103986866
1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724283
2-(1-ethylbenzimidazol-2-yl)-1-pyridin-2-ylethanamine
CID 79753548
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine
CID 79750125
2-(1-ethylbenzimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanamine
CID 116714084

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine?
The IUPAC name of 4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine (CID 105164972) is 4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine?
The canonical SMILES for 4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine is CCOCCC(N)Cc1nc2ccccc2n1CC.
What is the InChIKey of 4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine?
The InChIKey is UMARRBNZMPEDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-18-14-8-6-5-7-13(14)17-15(18)11-12(16)9-10-19-4-2/h5-8,12H,3-4,9-11,16H2,1-2H3.
What are the key properties of 4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine?
4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 105164972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).