1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine

C16H23N3O — CID 103986866

IUPAC1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine
SMILESCCn1c(CC(N)CC2CCOC2)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-2-19-15-6-4-3-5-14(15)18-16(19)10-13(17)9-12-7-8-20-11-12/h3-6,12-13H,2,7-11,17H2,1H3
InChIKeyCNUZRSCZGCZIQG-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.35
Rot. Bonds5

About 1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine

1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine (PubChem CID 103986866) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine
PubChem CID103986866
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine
SMILESCCn1c(CC(N)CC2CCOC2)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-2-19-15-6-4-3-5-14(15)18-16(19)10-13(17)9-12-7-8-20-11-12/h3-6,12-13H,2,7-11,17H2,1H3
InChIKeyCNUZRSCZGCZIQG-UHFFFAOYSA-N
XLogP2.35
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987126
2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753249
4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine
CID 105164972
2-(1-ethylbenzimidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine
CID 105007726
1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757035
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007666
N-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757032
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine
CID 103986800
1-(5-bromofuran-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanamine
CID 105007761
1-(oxolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 103986790
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine
CID 79750551

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine?
The IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine (CID 103986866) is 1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine.
What is the SMILES notation for 1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine?
The canonical SMILES for 1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine is CCn1c(CC(N)CC2CCOC2)nc2ccccc21.
What is the InChIKey of 1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine?
The InChIKey is CNUZRSCZGCZIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-19-15-6-4-3-5-14(15)18-16(19)10-13(17)9-12-7-8-20-11-12/h3-6,12-13H,2,7-11,17H2,1H3.
What are the key properties of 1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine?
1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine is sourced from PubChem (CID 103986866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).