[1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]imidazol-4-yl]methanol

C17H14ClF2N3O2 — CID 86295943

IUPAC[1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]imidazol-4-yl]methanol
SMILESOCc1cn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1
InChIInChI=1S/C17H14ClF2N3O2/c18-13-3-1-2-12(5-13)15-4-11(6-21-16(15)25-17(19)20)7-23-8-14(9-24)22-10-23/h1-6,8,10,17,24H,7,9H2
InChIKeyUBXPGACEJDLJLC-UHFFFAOYSA-N
MW365.77 g/mol
LogP3.74
Rot. Bonds6

About [1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]imidazol-4-yl]methanol

[1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]imidazol-4-yl]methanol (PubChem CID 86295943) has the molecular formula C17H14ClF2N3O2 and a molecular weight of 365.77 g/mol. Its IUPAC name is [1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]imidazol-4-yl]methanol
PubChem CID86295943
Molecular FormulaC17H14ClF2N3O2
Molecular Weight365.77 g/mol
Exact Mass365.07
IUPAC Name[1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]imidazol-4-yl]methanol
SMILESOCc1cn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1
InChIInChI=1S/C17H14ClF2N3O2/c18-13-3-1-2-12(5-13)15-4-11(6-21-16(15)25-17(19)20)7-23-8-14(9-24)22-10-23/h1-6,8,10,17,24H,7,9H2
InChIKeyUBXPGACEJDLJLC-UHFFFAOYSA-N
XLogP3.74
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.77
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Chloro-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol
CID 74221267
(3-Benzyl-4-chloro-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
CID 118006189
5-(3-chloro-4-fluorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine
CID 124127340
5-(3-chlorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine
CID 124134324
5-[3-chloro-4-(trifluoromethyl)phenyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine
CID 124134419
5-(3-chlorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazine
CID 126599757
8-[4-chloro-2-(trifluoromethyl)phenyl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-yl]-6,7,9,9a-tetrahydro-1H-pyrazino[1,2-d][1,2,4]oxadiazine
CID 126599817
US10201546, Example 112c
CID 138805804
US10201546, Example 145
CID 118022864
2-(2-(6-chloropyridin-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-1-yl)ethanol
CID 25102382
1-(4-Chloro-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinolin-6-yl)-1-(1,2-dimethyl-1H-imidazol-5-yl)ethanol
CID 118006258
1-(4-Chloro-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinolin-6-yl)-1-(1-methyl-1H-imidazol-5-yl)ethanol
CID 118006589

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]imidazol-4-yl]methanol?
The IUPAC name of [1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]imidazol-4-yl]methanol (CID 86295943) is [1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]imidazol-4-yl]methanol.
What is the SMILES notation for [1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]imidazol-4-yl]methanol?
The canonical SMILES for [1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]imidazol-4-yl]methanol is OCc1cn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1.
What is the InChIKey of [1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]imidazol-4-yl]methanol?
The InChIKey is UBXPGACEJDLJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3O2/c18-13-3-1-2-12(5-13)15-4-11(6-21-16(15)25-17(19)20)7-23-8-14(9-24)22-10-23/h1-6,8,10,17,24H,7,9H2.
What are the key properties of [1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]imidazol-4-yl]methanol?
[1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]imidazol-4-yl]methanol has a molecular weight of 365.77 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]imidazol-4-yl]methanol is sourced from PubChem (CID 86295943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).