(1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol

C18H20N2O2 — CID 763733

IUPAC(1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCCOc1ccc([C@H](O)Cc2nc3ccccc3n2C)cc1
InChIInChI=1S/C18H20N2O2/c1-3-22-14-10-8-13(9-11-14)17(21)12-18-19-15-6-4-5-7-16(15)20(18)2/h4-11,17,21H,3,12H2,1-2H3/t17-/m1/s1
InChIKeyDTZVVNUSKRWING-QGZVFWFLSA-N
MW296.37 g/mol
LogP3.25
Rot. Bonds5

About (1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol

(1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol (PubChem CID 763733) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
PubChem CID763733
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCCOc1ccc([C@H](O)Cc2nc3ccccc3n2C)cc1
InChIInChI=1S/C18H20N2O2/c1-3-22-14-10-8-13(9-11-14)17(21)12-18-19-15-6-4-5-7-16(15)20(18)2/h4-11,17,21H,3,12H2,1-2H3/t17-/m1/s1
InChIKeyDTZVVNUSKRWING-QGZVFWFLSA-N
XLogP3.25
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 797343
(S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 797340
(1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol
CID 702567
1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79754597
1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol
CID 79755905
1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79753671
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
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753545
1,1-diethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753376
cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methanol
CID 10641616
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The IUPAC name of (1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol (CID 763733) is (1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for (1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The canonical SMILES for (1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol is CCOc1ccc([C@H](O)Cc2nc3ccccc3n2C)cc1.
What is the InChIKey of (1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The InChIKey is DTZVVNUSKRWING-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-22-14-10-8-13(9-11-14)17(21)12-18-19-15-6-4-5-7-16(15)20(18)2/h4-11,17,21H,3,12H2,1-2H3/t17-/m1/s1.
What are the key properties of (1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
(1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol has a molecular weight of 296.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 763733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).