(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol

C11H11FN2O — CID 26722436

IUPAC(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-14-7-6-13-11(14)10(15)8-2-4-9(12)5-3-8/h2-7,10,15H,1H3/t10-/m0/s1
InChIKeyKJCSIXINJKNLAE-JTQLQIEISA-N
MW206.22 g/mol
LogP1.64
Rot. Bonds2

About (S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol

(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol (PubChem CID 26722436) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is (S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol
PubChem CID26722436
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-14-7-6-13-11(14)10(15)8-2-4-9(12)5-3-8/h2-7,10,15H,1H3/t10-/m0/s1
InChIKeyKJCSIXINJKNLAE-JTQLQIEISA-N
XLogP1.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylimidazol-2-yl)-(4-propan-2-yloxyphenyl)methanol
CID 63974299
[4-(diethylamino)phenyl]-(1-methylimidazol-2-yl)methanol
CID 23797851
[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105192712
(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanol
CID 63195009
(1-methylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol
CID 79755971
2-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-diphenylpropane-1,3-dione
CID 132532355
(1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol
CID 97092115
1-(4-fluorophenyl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol
CID 75434389
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide
CID 51331957
4-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25350052
1-(4-fluorophenyl)-2-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 110883509
(3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanol
CID 64713098

Frequently Asked Questions

What is the IUPAC name of (S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol (CID 26722436) is (S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol is Cn1ccnc1[C@@H](O)c1ccc(F)cc1.
What is the InChIKey of (S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol?
The InChIKey is KJCSIXINJKNLAE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11FN2O/c1-14-7-6-13-11(14)10(15)8-2-4-9(12)5-3-8/h2-7,10,15H,1H3/t10-/m0/s1.
What are the key properties of (S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol?
(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol has a molecular weight of 206.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 26722436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).