3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride

C22H18Cl2FN3O — CID 68793255

IUPAC3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride
SMILESCOc1ccc(Cn2ccnc2-c2cccnc2)c(F)c1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C22H17ClFN3O.ClH/c1-28-19-8-7-17(21(24)20(19)15-4-2-6-18(23)12-15)14-27-11-10-26-22(27)16-5-3-9-25-13-16;/h2-13H,14H2,1H3;1H
InChIKeySDMWCYWXTFPWFK-UHFFFAOYSA-N
MW430.31 g/mol
LogP5.88
Rot. Bonds5

About 3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride

3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride (PubChem CID 68793255) has the molecular formula C22H18Cl2FN3O and a molecular weight of 430.31 g/mol. Its IUPAC name is 3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride.

Molecular Properties

Compound Name3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride
PubChem CID68793255
Molecular FormulaC22H18Cl2FN3O
Molecular Weight430.31 g/mol
Exact Mass429.08
IUPAC Name3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride
SMILESCOc1ccc(Cn2ccnc2-c2cccnc2)c(F)c1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C22H17ClFN3O.ClH/c1-28-19-8-7-17(21(24)20(19)15-4-2-6-18(23)12-15)14-27-11-10-26-22(27)16-5-3-9-25-13-16;/h2-13H,14H2,1H3;1H
InChIKeySDMWCYWXTFPWFK-UHFFFAOYSA-N
XLogP5.88
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.31
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride?
The IUPAC name of 3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride (CID 68793255) is 3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride.
What is the SMILES notation for 3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride?
The canonical SMILES for 3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride is COc1ccc(Cn2ccnc2-c2cccnc2)c(F)c1-c1cccc(Cl)c1.Cl.
What is the InChIKey of 3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride?
The InChIKey is SDMWCYWXTFPWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O.ClH/c1-28-19-8-7-17(21(24)20(19)15-4-2-6-18(23)12-15)14-27-11-10-26-22(27)16-5-3-9-25-13-16;/h2-13H,14H2,1H3;1H.
What are the key properties of 3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride?
3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride has a molecular weight of 430.31 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride is sourced from PubChem (CID 68793255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).