3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol

C17H26N2O2 — CID 82334841

IUPAC3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol
SMILESCCOc1ccc2c(c1)nc(CCCO)n2CCC(C)C
InChIInChI=1S/C17H26N2O2/c1-4-21-14-7-8-16-15(12-14)18-17(6-5-11-20)19(16)10-9-13(2)3/h7-8,12-13,20H,4-6,9-11H2,1-3H3
InChIKeyRRMFJDSFEHKOSL-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.41
Rot. Bonds8

About 3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol

3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol (PubChem CID 82334841) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol
PubChem CID82334841
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol
SMILESCCOc1ccc2c(c1)nc(CCCO)n2CCC(C)C
InChIInChI=1S/C17H26N2O2/c1-4-21-14-7-8-16-15(12-14)18-17(6-5-11-20)19(16)10-9-13(2)3/h7-8,12-13,20H,4-6,9-11H2,1-3H3
InChIKeyRRMFJDSFEHKOSL-UHFFFAOYSA-N
XLogP3.41
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one
CID 82334847
3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 82334838
3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol
CID 82334844
3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82334661
2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine
CID 82334679
2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311696
3-(1-pentyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 82334105
2-(chloromethyl)-5-ethoxy-1-propylbenzimidazole
CID 82334898
2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol
CID 82335008
2-[2-[1-(dimethylamino)ethyl]-5-ethoxybenzimidazol-1-yl]ethanol
CID 82311699
2-[2-[2-(methylamino)ethyl]-5-propoxybenzimidazol-1-yl]ethanol
CID 82335082
3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 82332280

Frequently Asked Questions

What is the IUPAC name of 3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol (CID 82334841) is 3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol is CCOc1ccc2c(c1)nc(CCCO)n2CCC(C)C.
What is the InChIKey of 3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol?
The InChIKey is RRMFJDSFEHKOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-21-14-7-8-16-15(12-14)18-17(6-5-11-20)19(16)10-9-13(2)3/h7-8,12-13,20H,4-6,9-11H2,1-3H3.
What are the key properties of 3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol?
3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol has a molecular weight of 290.41 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 82334841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).