2-(1-ethylbenzimidazol-2-yl)-1-(5-methylfuran-3-yl)ethanol

C16H18N2O2 — CID 115818572

IUPAC2-(1-ethylbenzimidazol-2-yl)-1-(5-methylfuran-3-yl)ethanol
SMILESCCn1c(CC(O)c2coc(C)c2)nc2ccccc21
InChIInChI=1S/C16H18N2O2/c1-3-18-14-7-5-4-6-13(14)17-16(18)9-15(19)12-8-11(2)20-10-12/h4-8,10,15,19H,3,9H2,1-2H3
InChIKeySHPWWOBJMINZCS-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.23
Rot. Bonds4

About 2-(1-ethylbenzimidazol-2-yl)-1-(5-methylfuran-3-yl)ethanol

2-(1-ethylbenzimidazol-2-yl)-1-(5-methylfuran-3-yl)ethanol (PubChem CID 115818572) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)-1-(5-methylfuran-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)-1-(5-methylfuran-3-yl)ethanol
PubChem CID115818572
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(1-ethylbenzimidazol-2-yl)-1-(5-methylfuran-3-yl)ethanol
SMILESCCn1c(CC(O)c2coc(C)c2)nc2ccccc21
InChIInChI=1S/C16H18N2O2/c1-3-18-14-7-5-4-6-13(14)17-16(18)9-15(19)12-8-11(2)20-10-12/h4-8,10,15,19H,3,9H2,1-2H3
InChIKeySHPWWOBJMINZCS-UHFFFAOYSA-N
XLogP3.23
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 105007716
2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
CID 79754584
2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanol
CID 106756272
2-(1-ethylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105111618
2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol
CID 115818620
2-(1-ethylbenzimidazol-2-yl)-1-(3-iodophenyl)ethanol
CID 115818522
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanol
CID 79753821
2-(1-ethylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 115527844
1-(5-chloro-1,3-thiazol-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanol
CID 107125122
1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79756098
1-(1-ethylbenzimidazol-2-yl)-4-(furan-2-yl)butan-2-ol
CID 105111628

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(5-methylfuran-3-yl)ethanol?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(5-methylfuran-3-yl)ethanol (CID 115818572) is 2-(1-ethylbenzimidazol-2-yl)-1-(5-methylfuran-3-yl)ethanol.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)-1-(5-methylfuran-3-yl)ethanol?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)-1-(5-methylfuran-3-yl)ethanol is CCn1c(CC(O)c2coc(C)c2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)-1-(5-methylfuran-3-yl)ethanol?
The InChIKey is SHPWWOBJMINZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-18-14-7-5-4-6-13(14)17-16(18)9-15(19)12-8-11(2)20-10-12/h4-8,10,15,19H,3,9H2,1-2H3.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)-1-(5-methylfuran-3-yl)ethanol?
2-(1-ethylbenzimidazol-2-yl)-1-(5-methylfuran-3-yl)ethanol has a molecular weight of 270.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)-1-(5-methylfuran-3-yl)ethanol is sourced from PubChem (CID 115818572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).