(1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol

C18H20N2O3 — CID 680857

IUPAC(1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCOc1cccc([C@H](O)Cc2nc3ccccc3n2C)c1OC
InChIInChI=1S/C18H20N2O3/c1-20-14-9-5-4-8-13(14)19-17(20)11-15(21)12-7-6-10-16(22-2)18(12)23-3/h4-10,15,21H,11H2,1-3H3/t15-/m1/s1
InChIKeySZKWYMNETGAYBB-OAHLLOKOSA-N
MW312.37 g/mol
LogP2.87
Rot. Bonds5

About (1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol

(1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol (PubChem CID 680857) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
PubChem CID680857
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCOc1cccc([C@H](O)Cc2nc3ccccc3n2C)c1OC
InChIInChI=1S/C18H20N2O3/c1-20-14-9-5-4-8-13(14)19-17(20)11-15(21)12-7-6-10-16(22-2)18(12)23-3/h4-10,15,21H,11H2,1-3H3/t15-/m1/s1
InChIKeySZKWYMNETGAYBB-OAHLLOKOSA-N
XLogP2.87
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 105066358
(2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 2870450
1-(3-chloro-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79756071
1-(6-methoxypyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 102950299
1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 82682714
(1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 763733
(R)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol
CID 1349779
(S)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol
CID 1349776
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045875
1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79753671
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The IUPAC name of (1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol (CID 680857) is (1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for (1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The canonical SMILES for (1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol is COc1cccc([C@H](O)Cc2nc3ccccc3n2C)c1OC.
What is the InChIKey of (1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The InChIKey is SZKWYMNETGAYBB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-20-14-9-5-4-8-13(14)19-17(20)11-15(21)12-7-6-10-16(22-2)18(12)23-3/h4-10,15,21H,11H2,1-3H3/t15-/m1/s1.
What are the key properties of (1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
(1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol has a molecular weight of 312.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 680857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).