(1S)-1-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol

C18H20N2O4 — CID 94032041

IUPAC(1S)-1-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
SMILESCOc1ccc(OC)c([C@H](O)Cn2c(CO)nc3ccccc32)c1
InChIInChI=1S/C18H20N2O4/c1-23-12-7-8-17(24-2)13(9-12)16(22)10-20-15-6-4-3-5-14(15)19-18(20)11-21/h3-9,16,21-22H,10-11H2,1-2H3/t16-/m1/s1
InChIKeyOLUMYCNTGKCITM-MRXNPFEDSA-N
MW328.37 g/mol
LogP2.28
Rot. Bonds6

About (1S)-1-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol

(1S)-1-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol (PubChem CID 94032041) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (1S)-1-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
PubChem CID94032041
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(1S)-1-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
SMILESCOc1ccc(OC)c([C@H](O)Cn2c(CO)nc3ccccc32)c1
InChIInChI=1S/C18H20N2O4/c1-23-12-7-8-17(24-2)13(9-12)16(22)10-20-15-6-4-3-5-14(15)19-18(20)11-21/h3-9,16,21-22H,10-11H2,1-2H3/t16-/m1/s1
InChIKeyOLUMYCNTGKCITM-MRXNPFEDSA-N
XLogP2.28
TPSA76.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol?
The IUPAC name of (1S)-1-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol (CID 94032041) is (1S)-1-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for (1S)-1-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol is COc1ccc(OC)c([C@H](O)Cn2c(CO)nc3ccccc32)c1.
What is the InChIKey of (1S)-1-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol?
The InChIKey is OLUMYCNTGKCITM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-23-12-7-8-17(24-2)13(9-12)16(22)10-20-15-6-4-3-5-14(15)19-18(20)11-21/h3-9,16,21-22H,10-11H2,1-2H3/t16-/m1/s1.
What are the key properties of (1S)-1-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol?
(1S)-1-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol has a molecular weight of 328.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 94032041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).