2-(1-ethylbenzimidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine

C16H23N3O — CID 105007726

IUPAC2-(1-ethylbenzimidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine
SMILESCCn1c(CC(N)C2CCC(C)O2)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-3-19-14-7-5-4-6-13(14)18-16(19)10-12(17)15-9-8-11(2)20-15/h4-7,11-12,15H,3,8-10,17H2,1-2H3
InChIKeyJATWPQHDJGZFRF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.49
Rot. Bonds4

About 2-(1-ethylbenzimidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine

2-(1-ethylbenzimidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine (PubChem CID 105007726) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine
PubChem CID105007726
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(1-ethylbenzimidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine
SMILESCCn1c(CC(N)C2CCC(C)O2)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-3-19-14-7-5-4-6-13(14)18-16(19)10-12(17)15-9-8-11(2)20-15/h4-7,11-12,15H,3,8-10,17H2,1-2H3
InChIKeyJATWPQHDJGZFRF-UHFFFAOYSA-N
XLogP2.49
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79754023
1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine
CID 103986866
1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757035
1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757049
2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753249
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol
CID 80622777
1-(5-bromofuran-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanamine
CID 105007761
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine
CID 79750551
2-(1-ethylbenzimidazol-2-yl)-1-(3-methylcyclohexyl)ethanol
CID 79755078
2-(1-ethylbenzimidazol-2-yl)-1-pyridin-2-ylethanamine
CID 79753548
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine
CID 79750125

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine (CID 105007726) is 2-(1-ethylbenzimidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine is CCn1c(CC(N)C2CCC(C)O2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine?
The InChIKey is JATWPQHDJGZFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-19-14-7-5-4-6-13(14)18-16(19)10-12(17)15-9-8-11(2)20-15/h4-7,11-12,15H,3,8-10,17H2,1-2H3.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine?
2-(1-ethylbenzimidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 105007726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).