1-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethanol

C12H13FN2O — CID 22937741

IUPAC1-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethanol
SMILESCC(O)c1cncn1Cc1ccc(F)cc1
InChIInChI=1S/C12H13FN2O/c1-9(16)12-6-14-8-15(12)7-10-2-4-11(13)5-3-10/h2-6,8-9,16H,7H2,1H3
InChIKeyZKBJELMAPYYMQP-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.12
Rot. Bonds3

About 1-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethanol

1-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethanol (PubChem CID 22937741) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethanol
PubChem CID22937741
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name1-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethanol
SMILESCC(O)c1cncn1Cc1ccc(F)cc1
InChIInChI=1S/C12H13FN2O/c1-9(16)12-6-14-8-15(12)7-10-2-4-11(13)5-3-10/h2-6,8-9,16H,7H2,1H3
InChIKeyZKBJELMAPYYMQP-UHFFFAOYSA-N
XLogP2.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethanol?
The IUPAC name of 1-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethanol (CID 22937741) is 1-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethanol.
What is the SMILES notation for 1-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethanol?
The canonical SMILES for 1-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethanol is CC(O)c1cncn1Cc1ccc(F)cc1.
What is the InChIKey of 1-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethanol?
The InChIKey is ZKBJELMAPYYMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-9(16)12-6-14-8-15(12)7-10-2-4-11(13)5-3-10/h2-6,8-9,16H,7H2,1H3.
What are the key properties of 1-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethanol?
1-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethanol has a molecular weight of 220.25 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethanol is sourced from PubChem (CID 22937741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).