3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine

C18H16ClF2N3O — CID 90440708

IUPAC3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine
SMILESCCc1cn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1
InChIInChI=1S/C18H16ClF2N3O/c1-2-15-10-24(11-23-15)9-12-6-16(13-4-3-5-14(19)7-13)17(22-8-12)25-18(20)21/h3-8,10-11,18H,2,9H2,1H3
InChIKeyAVVYTBJLTMGJSK-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.81
Rot. Bonds6

About 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine

3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine (PubChem CID 90440708) has the molecular formula C18H16ClF2N3O and a molecular weight of 363.80 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine
PubChem CID90440708
Molecular FormulaC18H16ClF2N3O
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Name3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine
SMILESCCc1cn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1
InChIInChI=1S/C18H16ClF2N3O/c1-2-15-10-24(11-23-15)9-12-6-16(13-4-3-5-14(19)7-13)17(22-8-12)25-18(20)21/h3-8,10-11,18H,2,9H2,1H3
InChIKeyAVVYTBJLTMGJSK-UHFFFAOYSA-N
XLogP4.81
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine?
The IUPAC name of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine (CID 90440708) is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine?
The canonical SMILES for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine is CCc1cn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine?
The InChIKey is AVVYTBJLTMGJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N3O/c1-2-15-10-24(11-23-15)9-12-6-16(13-4-3-5-14(19)7-13)17(22-8-12)25-18(20)21/h3-8,10-11,18H,2,9H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine?
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine has a molecular weight of 363.80 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine is sourced from PubChem (CID 90440708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).