1-(4-fluoro-2-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol

C17H17FN2O2 — CID 111629898

IUPAC1-(4-fluoro-2-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
SMILESCc1cc(F)ccc1C(O)Cn1c(CO)nc2ccccc21
InChIInChI=1S/C17H17FN2O2/c1-11-8-12(18)6-7-13(11)16(22)9-20-15-5-3-2-4-14(15)19-17(20)10-21/h2-8,16,21-22H,9-10H2,1H3
InChIKeyGDRWMMHCVRQVIK-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.71
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol

1-(4-fluoro-2-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol (PubChem CID 111629898) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
PubChem CID111629898
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
SMILESCc1cc(F)ccc1C(O)Cn1c(CO)nc2ccccc21
InChIInChI=1S/C17H17FN2O2/c1-11-8-12(18)6-7-13(11)16(22)9-20-15-5-3-2-4-14(15)19-17(20)10-21/h2-8,16,21-22H,9-10H2,1H3
InChIKeyGDRWMMHCVRQVIK-UHFFFAOYSA-N
XLogP2.71
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol (CID 111629898) is 1-(4-fluoro-2-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol is Cc1cc(F)ccc1C(O)Cn1c(CO)nc2ccccc21.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol?
The InChIKey is GDRWMMHCVRQVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-11-8-12(18)6-7-13(11)16(22)9-20-15-5-3-2-4-14(15)19-17(20)10-21/h2-8,16,21-22H,9-10H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol?
1-(4-fluoro-2-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol has a molecular weight of 300.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 111629898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).