1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol

C16H24N2O2 — CID 103027615

IUPAC1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol
SMILESCCn1c(CC(O)CC(C)(C)OC)nc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-5-18-14-9-7-6-8-13(14)17-15(18)10-12(19)11-16(2,3)20-4/h6-9,12,19H,5,10-11H2,1-4H3
InChIKeyVQMMAMLGOXVKAB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.77
Rot. Bonds6

About 1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol

1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol (PubChem CID 103027615) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol
PubChem CID103027615
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol
SMILESCCn1c(CC(O)CC(C)(C)OC)nc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-5-18-14-9-7-6-8-13(14)17-15(18)10-12(19)11-16(2,3)20-4/h6-9,12,19H,5,10-11H2,1-4H3
InChIKeyVQMMAMLGOXVKAB-UHFFFAOYSA-N
XLogP2.77
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol
CID 116752874
1-(1-ethylbenzimidazol-2-yl)-4-methoxybutan-2-ol
CID 79754353
1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724283
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79756098
4-(2,2-difluoroethoxy)-1-(1-ethylbenzimidazol-2-yl)butan-2-ol
CID 103147708
3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol
CID 116752064
1-tert-butylsulfanyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79756075
3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
CID 79753547
2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
CID 79754584
1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol
CID 115400992
1-(1-ethylbenzimidazol-2-yl)-4-(furan-2-yl)butan-2-ol
CID 105111628

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol?
The IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol (CID 103027615) is 1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol.
What is the SMILES notation for 1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol?
The canonical SMILES for 1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol is CCn1c(CC(O)CC(C)(C)OC)nc2ccccc21.
What is the InChIKey of 1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol?
The InChIKey is VQMMAMLGOXVKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-18-14-9-7-6-8-13(14)17-15(18)10-12(19)11-16(2,3)20-4/h6-9,12,19H,5,10-11H2,1-4H3.
What are the key properties of 1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol?
1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol has a molecular weight of 276.38 g/mol, XLogP of 2.77, 6 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)-4-methoxy-4-methylpentan-2-ol is sourced from PubChem (CID 103027615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).