(3-chloro-5-fluorophenyl)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methanol

C17H14ClFN2O2 — CID 46943479

IUPAC(3-chloro-5-fluorophenyl)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methanol
SMILESCOc1cccc(-c2cnc(C(O)c3cc(F)cc(Cl)c3)[nH]2)c1
InChIInChI=1S/C17H14ClFN2O2/c1-23-14-4-2-3-10(7-14)15-9-20-17(21-15)16(22)11-5-12(18)8-13(19)6-11/h2-9,16,22H,1H3,(H,20,21)
InChIKeyINYUGFMDXCNCJD-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.96
Rot. Bonds4

About (3-chloro-5-fluorophenyl)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methanol

(3-chloro-5-fluorophenyl)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methanol (PubChem CID 46943479) has the molecular formula C17H14ClFN2O2 and a molecular weight of 332.76 g/mol. Its IUPAC name is (3-chloro-5-fluorophenyl)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methanol.

Molecular Properties

Compound Name(3-chloro-5-fluorophenyl)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methanol
PubChem CID46943479
Molecular FormulaC17H14ClFN2O2
Molecular Weight332.76 g/mol
Exact Mass332.07
IUPAC Name(3-chloro-5-fluorophenyl)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methanol
SMILESCOc1cccc(-c2cnc(C(O)c3cc(F)cc(Cl)c3)[nH]2)c1
InChIInChI=1S/C17H14ClFN2O2/c1-23-14-4-2-3-10(7-14)15-9-20-17(21-15)16(22)11-5-12(18)8-13(19)6-11/h2-9,16,22H,1H3,(H,20,21)
InChIKeyINYUGFMDXCNCJD-UHFFFAOYSA-N
XLogP3.96
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluorophenyl)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methanol?
The IUPAC name of (3-chloro-5-fluorophenyl)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methanol (CID 46943479) is (3-chloro-5-fluorophenyl)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methanol.
What is the SMILES notation for (3-chloro-5-fluorophenyl)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methanol?
The canonical SMILES for (3-chloro-5-fluorophenyl)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methanol is COc1cccc(-c2cnc(C(O)c3cc(F)cc(Cl)c3)[nH]2)c1.
What is the InChIKey of (3-chloro-5-fluorophenyl)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methanol?
The InChIKey is INYUGFMDXCNCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2/c1-23-14-4-2-3-10(7-14)15-9-20-17(21-15)16(22)11-5-12(18)8-13(19)6-11/h2-9,16,22H,1H3,(H,20,21).
What are the key properties of (3-chloro-5-fluorophenyl)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methanol?
(3-chloro-5-fluorophenyl)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methanol has a molecular weight of 332.76 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-fluorophenyl)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methanol is sourced from PubChem (CID 46943479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).