(S)-(4-fluoro-2-propylphenyl)-(1H-imidazol-2-yl)methanol

C13H15FN2O — CID 126961334

IUPAC(S)-(4-fluoro-2-propylphenyl)-(1H-imidazol-2-yl)methanol
SMILESCCCc1cc(F)ccc1[C@H](O)c1ncc[nH]1
InChIInChI=1S/C13H15FN2O/c1-2-3-9-8-10(14)4-5-11(9)12(17)13-15-6-7-16-13/h4-8,12,17H,2-3H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyIDFPQEHZYBXIFO-LBPRGKRZSA-N
MW234.27 g/mol
LogP2.58
Rot. Bonds4

About (S)-(4-fluoro-2-propylphenyl)-(1H-imidazol-2-yl)methanol

(S)-(4-fluoro-2-propylphenyl)-(1H-imidazol-2-yl)methanol (PubChem CID 126961334) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is (S)-(4-fluoro-2-propylphenyl)-(1H-imidazol-2-yl)methanol.

Molecular Properties

Compound Name(S)-(4-fluoro-2-propylphenyl)-(1H-imidazol-2-yl)methanol
PubChem CID126961334
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name(S)-(4-fluoro-2-propylphenyl)-(1H-imidazol-2-yl)methanol
SMILESCCCc1cc(F)ccc1[C@H](O)c1ncc[nH]1
InChIInChI=1S/C13H15FN2O/c1-2-3-9-8-10(14)4-5-11(9)12(17)13-15-6-7-16-13/h4-8,12,17H,2-3H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyIDFPQEHZYBXIFO-LBPRGKRZSA-N
XLogP2.58
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-(4-fluoro-2-propylphenyl)-(1H-imidazol-2-yl)methanol?
The IUPAC name of (S)-(4-fluoro-2-propylphenyl)-(1H-imidazol-2-yl)methanol (CID 126961334) is (S)-(4-fluoro-2-propylphenyl)-(1H-imidazol-2-yl)methanol.
What is the SMILES notation for (S)-(4-fluoro-2-propylphenyl)-(1H-imidazol-2-yl)methanol?
The canonical SMILES for (S)-(4-fluoro-2-propylphenyl)-(1H-imidazol-2-yl)methanol is CCCc1cc(F)ccc1[C@H](O)c1ncc[nH]1.
What is the InChIKey of (S)-(4-fluoro-2-propylphenyl)-(1H-imidazol-2-yl)methanol?
The InChIKey is IDFPQEHZYBXIFO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-2-3-9-8-10(14)4-5-11(9)12(17)13-15-6-7-16-13/h4-8,12,17H,2-3H2,1H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (S)-(4-fluoro-2-propylphenyl)-(1H-imidazol-2-yl)methanol?
(S)-(4-fluoro-2-propylphenyl)-(1H-imidazol-2-yl)methanol has a molecular weight of 234.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-fluoro-2-propylphenyl)-(1H-imidazol-2-yl)methanol is sourced from PubChem (CID 126961334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).