3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol

C17H26N2O2 — CID 116752874

IUPAC3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol
SMILESCCn1c(CC(O)C(CC)(CC)OC)nc2ccccc21
InChIInChI=1S/C17H26N2O2/c1-5-17(6-2,21-4)15(20)12-16-18-13-10-8-9-11-14(13)19(16)7-3/h8-11,15,20H,5-7,12H2,1-4H3
InChIKeyDKQFTBDXMHOOAV-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.16
Rot. Bonds7

About 3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol

3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol (PubChem CID 116752874) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol
PubChem CID116752874
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol
SMILESCCn1c(CC(O)C(CC)(CC)OC)nc2ccccc21
InChIInChI=1S/C17H26N2O2/c1-5-17(6-2,21-4)15(20)12-16-18-13-10-8-9-11-14(13)19(16)7-3/h8-11,15,20H,5-7,12H2,1-4H3
InChIKeyDKQFTBDXMHOOAV-UHFFFAOYSA-N
XLogP3.16
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol
CID 116752064
1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol
CID 103027615
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
1-(1-ethylbenzimidazol-2-yl)-4-methoxybutan-2-ol
CID 79754353
1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79756098
2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
CID 79754584
1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724283
2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol
CID 115818620
2-(1-ethylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 115527844
N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine
CID 79751150
ethyl 2-[(1-ethylbenzimidazol-2-yl)methyl]butanoate
CID 79753663
[1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272000

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol?
The IUPAC name of 3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol (CID 116752874) is 3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol.
What is the SMILES notation for 3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol?
The canonical SMILES for 3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol is CCn1c(CC(O)C(CC)(CC)OC)nc2ccccc21.
What is the InChIKey of 3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol?
The InChIKey is DKQFTBDXMHOOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-17(6-2,21-4)15(20)12-16-18-13-10-8-9-11-14(13)19(16)7-3/h8-11,15,20H,5-7,12H2,1-4H3.
What are the key properties of 3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol?
3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol has a molecular weight of 290.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol is sourced from PubChem (CID 116752874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).