3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol

C16H22N2O2 — CID 106823434

IUPAC3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
SMILESCCOC1CC(O)(Cc2nc3ccccc3n2CC)C1
InChIInChI=1S/C16H22N2O2/c1-3-18-14-8-6-5-7-13(14)17-15(18)11-16(19)9-12(10-16)20-4-2/h5-8,12,19H,3-4,9-11H2,1-2H3
InChIKeyOIZFIXCTGJXVAM-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.53
Rot. Bonds5

About 3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol

3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol (PubChem CID 106823434) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
PubChem CID106823434
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
SMILESCCOC1CC(O)(Cc2nc3ccccc3n2CC)C1
InChIInChI=1S/C16H22N2O2/c1-3-18-14-8-6-5-7-13(14)17-15(18)11-16(19)9-12(10-16)20-4-2/h5-8,12,19H,3-4,9-11H2,1-2H3
InChIKeyOIZFIXCTGJXVAM-UHFFFAOYSA-N
XLogP2.53
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823271
3-methoxy-1-[(1-methylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823868
1-[(1-ethylbenzimidazol-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-ol
CID 106663718
3-propan-2-yl-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 103564206
1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 107003948
1-[(1-ethylbenzimidazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 79755052
1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 79753348
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
2-[(3-chloro-1-methylcyclopentyl)methyl]-1-ethylbenzimidazole
CID 116540367
1-[(1-ethylbenzimidazol-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 79755494
3-[(1-ethylbenzimidazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116539036
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79753193

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol?
The IUPAC name of 3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol (CID 106823434) is 3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol is CCOC1CC(O)(Cc2nc3ccccc3n2CC)C1.
What is the InChIKey of 3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol?
The InChIKey is OIZFIXCTGJXVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-18-14-8-6-5-7-13(14)17-15(18)11-16(19)9-12(10-16)20-4-2/h5-8,12,19H,3-4,9-11H2,1-2H3.
What are the key properties of 3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol?
3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol has a molecular weight of 274.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 106823434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).