2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole

C14H20N2O — CID 115571125

IUPAC2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole
SMILESCCc1nc2ccccc2n1CCOC(C)C
InChIInChI=1S/C14H20N2O/c1-4-14-15-12-7-5-6-8-13(12)16(14)9-10-17-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyXSHRIXZMICIJLX-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.02
Rot. Bonds5

About 2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole

2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole (PubChem CID 115571125) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole
PubChem CID115571125
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole
SMILESCCc1nc2ccccc2n1CCOC(C)C
InChIInChI=1S/C14H20N2O/c1-4-14-15-12-7-5-6-8-13(12)16(14)9-10-17-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyXSHRIXZMICIJLX-UHFFFAOYSA-N
XLogP3.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanamine
CID 63636171
1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763114
N'-hydroxy-2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanimidamide
CID 77002937
2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996424
1-[2-(2-chloroethoxy)ethyl]-2-ethylbenzimidazole
CID 63664998
2-(chloromethyl)-1-(4-propan-2-yloxybutyl)benzimidazole
CID 106005117
2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole
CID 103184188
2-ethyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996412
6-(2-ethylbenzimidazol-1-yl)hexan-2-amine
CID 63107097
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole?
The IUPAC name of 2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole (CID 115571125) is 2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole.
What is the SMILES notation for 2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole?
The canonical SMILES for 2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole is CCc1nc2ccccc2n1CCOC(C)C.
What is the InChIKey of 2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole?
The InChIKey is XSHRIXZMICIJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-14-15-12-7-5-6-8-13(12)16(14)9-10-17-11(2)3/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole?
2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole has a molecular weight of 232.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole is sourced from PubChem (CID 115571125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).