1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole

C16H22N2O — CID 116626992

IUPAC1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1CCC1CCCO1
InChIInChI=1S/C16H22N2O/c1-2-6-16-17-14-8-3-4-9-15(14)18(16)11-10-13-7-5-12-19-13/h3-4,8-9,13H,2,5-7,10-12H2,1H3
InChIKeyYNTBHTWIHVZMAH-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.56
Rot. Bonds5

About 1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole

1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole (PubChem CID 116626992) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole
PubChem CID116626992
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1CCC1CCCO1
InChIInChI=1S/C16H22N2O/c1-2-6-16-17-14-8-3-4-9-15(14)18(16)11-10-13-7-5-12-19-13/h3-4,8-9,13H,2,5-7,10-12H2,1H3
InChIKeyYNTBHTWIHVZMAH-UHFFFAOYSA-N
XLogP3.56
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 61034574
2-[2-(2-propylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine
CID 115970712
1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole
CID 107391401
2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole
CID 79762204
2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine
CID 55080127
2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole
CID 43149486
N-[2-(2-propylbenzimidazol-1-yl)ethyl]cyclopentanamine
CID 115971115
2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole
CID 115970770
3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine
CID 50877230
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 93418668
1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one
CID 79753354
2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62218069

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole?
The IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole (CID 116626992) is 1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole.
What is the SMILES notation for 1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole?
The canonical SMILES for 1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole is CCCc1nc2ccccc2n1CCC1CCCO1.
What is the InChIKey of 1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole?
The InChIKey is YNTBHTWIHVZMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-6-16-17-14-8-3-4-9-15(14)18(16)11-10-13-7-5-12-19-13/h3-4,8-9,13H,2,5-7,10-12H2,1H3.
What are the key properties of 1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole?
1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole has a molecular weight of 258.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole is sourced from PubChem (CID 116626992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).