(5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol

C12H12ClFN2O — CID 61314413

IUPAC(5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol
SMILESCCn1ccnc1C(O)c1cc(Cl)ccc1F
InChIInChI=1S/C12H12ClFN2O/c1-2-16-6-5-15-12(16)11(17)9-7-8(13)3-4-10(9)14/h3-7,11,17H,2H2,1H3
InChIKeyXBVZRTXYJYLRGY-UHFFFAOYSA-N
MW254.69 g/mol
LogP2.78
Rot. Bonds3

About (5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol

(5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol (PubChem CID 61314413) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol
PubChem CID61314413
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name(5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol
SMILESCCn1ccnc1C(O)c1cc(Cl)ccc1F
InChIInChI=1S/C12H12ClFN2O/c1-2-16-6-5-15-12(16)11(17)9-7-8(13)3-4-10(9)14/h3-7,11,17H,2H2,1H3
InChIKeyXBVZRTXYJYLRGY-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol?
The IUPAC name of (5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol (CID 61314413) is (5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol is CCn1ccnc1C(O)c1cc(Cl)ccc1F.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol?
The InChIKey is XBVZRTXYJYLRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c1-2-16-6-5-15-12(16)11(17)9-7-8(13)3-4-10(9)14/h3-7,11,17H,2H2,1H3.
What are the key properties of (5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol?
(5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol has a molecular weight of 254.69 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol is sourced from PubChem (CID 61314413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).