(4,5-dichloro-1-methylimidazol-2-yl)-(2-fluorophenyl)methanol

C11H9Cl2FN2O — CID 646450

IUPAC(4,5-dichloro-1-methylimidazol-2-yl)-(2-fluorophenyl)methanol
SMILESCn1c(C(O)c2ccccc2F)nc(Cl)c1Cl
InChIInChI=1S/C11H9Cl2FN2O/c1-16-10(13)9(12)15-11(16)8(17)6-4-2-3-5-7(6)14/h2-5,8,17H,1H3
InChIKeyGYOSMBVCCHJYGS-UHFFFAOYSA-N
MW275.11 g/mol
LogP2.95
Rot. Bonds2

About (4,5-dichloro-1-methylimidazol-2-yl)-(2-fluorophenyl)methanol

(4,5-dichloro-1-methylimidazol-2-yl)-(2-fluorophenyl)methanol (PubChem CID 646450) has the molecular formula C11H9Cl2FN2O and a molecular weight of 275.11 g/mol. Its IUPAC name is (4,5-dichloro-1-methylimidazol-2-yl)-(2-fluorophenyl)methanol.

Molecular Properties

Compound Name(4,5-dichloro-1-methylimidazol-2-yl)-(2-fluorophenyl)methanol
PubChem CID646450
Molecular FormulaC11H9Cl2FN2O
Molecular Weight275.11 g/mol
Exact Mass274.01
IUPAC Name(4,5-dichloro-1-methylimidazol-2-yl)-(2-fluorophenyl)methanol
SMILESCn1c(C(O)c2ccccc2F)nc(Cl)c1Cl
InChIInChI=1S/C11H9Cl2FN2O/c1-16-10(13)9(12)15-11(16)8(17)6-4-2-3-5-7(6)14/h2-5,8,17H,1H3
InChIKeyGYOSMBVCCHJYGS-UHFFFAOYSA-N
XLogP2.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,5-dichloro-1-methylimidazol-2-yl)-(2-fluorophenyl)methanol?
The IUPAC name of (4,5-dichloro-1-methylimidazol-2-yl)-(2-fluorophenyl)methanol (CID 646450) is (4,5-dichloro-1-methylimidazol-2-yl)-(2-fluorophenyl)methanol.
What is the SMILES notation for (4,5-dichloro-1-methylimidazol-2-yl)-(2-fluorophenyl)methanol?
The canonical SMILES for (4,5-dichloro-1-methylimidazol-2-yl)-(2-fluorophenyl)methanol is Cn1c(C(O)c2ccccc2F)nc(Cl)c1Cl.
What is the InChIKey of (4,5-dichloro-1-methylimidazol-2-yl)-(2-fluorophenyl)methanol?
The InChIKey is GYOSMBVCCHJYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN2O/c1-16-10(13)9(12)15-11(16)8(17)6-4-2-3-5-7(6)14/h2-5,8,17H,1H3.
What are the key properties of (4,5-dichloro-1-methylimidazol-2-yl)-(2-fluorophenyl)methanol?
(4,5-dichloro-1-methylimidazol-2-yl)-(2-fluorophenyl)methanol has a molecular weight of 275.11 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloro-1-methylimidazol-2-yl)-(2-fluorophenyl)methanol is sourced from PubChem (CID 646450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).