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

C11H9Cl2FN2O — CID 114239432

IUPAC(2-chloro-5-fluorophenyl)-(5-chloro-1-methylimidazol-2-yl)methanol
SMILESCn1c(Cl)cnc1C(O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H9Cl2FN2O/c1-16-9(13)5-15-11(16)10(17)7-4-6(14)2-3-8(7)12/h2-5,10,17H,1H3
InChIKeyOWVZZNSCYUWEKR-UHFFFAOYSA-N
MW275.11 g/mol
LogP2.95
Rot. Bonds2

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

(2-chloro-5-fluorophenyl)-(5-chloro-1-methylimidazol-2-yl)methanol (PubChem CID 114239432) has the molecular formula C11H9Cl2FN2O and a molecular weight of 275.11 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(5-chloro-1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(5-chloro-1-methylimidazol-2-yl)methanol
PubChem CID114239432
Molecular FormulaC11H9Cl2FN2O
Molecular Weight275.11 g/mol
Exact Mass274.01
IUPAC Name(2-chloro-5-fluorophenyl)-(5-chloro-1-methylimidazol-2-yl)methanol
SMILESCn1c(Cl)cnc1C(O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H9Cl2FN2O/c1-16-9(13)5-15-11(16)10(17)7-4-6(14)2-3-8(7)12/h2-5,10,17H,1H3
InChIKeyOWVZZNSCYUWEKR-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(5-chloro-1-methylimidazol-2-yl)methanol?
The IUPAC name of (2-chloro-5-fluorophenyl)-(5-chloro-1-methylimidazol-2-yl)methanol (CID 114239432) is (2-chloro-5-fluorophenyl)-(5-chloro-1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(5-chloro-1-methylimidazol-2-yl)methanol?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(5-chloro-1-methylimidazol-2-yl)methanol is Cn1c(Cl)cnc1C(O)c1cc(F)ccc1Cl.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(5-chloro-1-methylimidazol-2-yl)methanol?
The InChIKey is OWVZZNSCYUWEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN2O/c1-16-9(13)5-15-11(16)10(17)7-4-6(14)2-3-8(7)12/h2-5,10,17H,1H3.
What are the key properties of (2-chloro-5-fluorophenyl)-(5-chloro-1-methylimidazol-2-yl)methanol?
(2-chloro-5-fluorophenyl)-(5-chloro-1-methylimidazol-2-yl)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 (2-chloro-5-fluorophenyl)-(5-chloro-1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 114239432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).