1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol

C14H14N2O2 — CID 79753671

IUPAC1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCn1c(CC(O)c2ccoc2)nc2ccccc21
InChIInChI=1S/C14H14N2O2/c1-16-12-5-3-2-4-11(12)15-14(16)8-13(17)10-6-7-18-9-10/h2-7,9,13,17H,8H2,1H3
InChIKeyXTGVRJVYYSVTAB-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.44
Rot. Bonds3

About 1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol

1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol (PubChem CID 79753671) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
PubChem CID79753671
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCn1c(CC(O)c2ccoc2)nc2ccccc21
InChIInChI=1S/C14H14N2O2/c1-16-12-5-3-2-4-11(12)15-14(16)8-13(17)10-6-7-18-9-10/h2-7,9,13,17H,8H2,1H3
InChIKeyXTGVRJVYYSVTAB-UHFFFAOYSA-N
XLogP2.44
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750479
1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79754597
(1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol
CID 702567
(1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 763733
1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 115818511
1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 115818504
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354
1-(1-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827
1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 112575265
2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753334

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The IUPAC name of 1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol (CID 79753671) is 1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The canonical SMILES for 1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol is Cn1c(CC(O)c2ccoc2)nc2ccccc21.
What is the InChIKey of 1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The InChIKey is XTGVRJVYYSVTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-16-12-5-3-2-4-11(12)15-14(16)8-13(17)10-6-7-18-9-10/h2-7,9,13,17H,8H2,1H3.
What are the key properties of 1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol?
1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol has a molecular weight of 242.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 79753671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).