2-[(3-fluorophenyl)methyl]-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridine

C24H22FN3O — CID 161463309

IUPAC2-[(3-fluorophenyl)methyl]-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridine
SMILESCOc1cc(Cc2cccc(Cc3cccc(F)c3)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H22FN3O/c1-17-15-28(16-26-17)23-10-9-19(14-24(23)29-2)13-22-8-4-7-21(27-22)12-18-5-3-6-20(25)11-18/h3-11,14-16H,12-13H2,1-2H3
InChIKeyWCCFXPABACXOQE-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.91
Rot. Bonds6

About 2-[(3-fluorophenyl)methyl]-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridine

2-[(3-fluorophenyl)methyl]-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridine (PubChem CID 161463309) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridine
PubChem CID161463309
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC Name2-[(3-fluorophenyl)methyl]-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridine
SMILESCOc1cc(Cc2cccc(Cc3cccc(F)c3)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H22FN3O/c1-17-15-28(16-26-17)23-10-9-19(14-24(23)29-2)13-22-8-4-7-21(27-22)12-18-5-3-6-20(25)11-18/h3-11,14-16H,12-13H2,1-2H3
InChIKeyWCCFXPABACXOQE-UHFFFAOYSA-N
XLogP4.91
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methylpyrimidine
CID 146993141
4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidine
CID 157117174
8-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 58375643
[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-yl]methyl acetate
CID 161238815
trifluoro-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]boranuide
CID 140582920
ethyl 5-[(3-fluorophenyl)methylamino]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]pentanoate
CID 66960251
ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline
CID 144841192
3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1H-indolizin-5-one
CID 59591030
3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride
CID 59591064
[2-(4-fluorophenyl)phenyl]-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanone
CID 166069593
1-(4-fluorophenyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-propan-2-yl-1,2,4-triazole
CID 67606398
4-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
CID 59333801

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridine (CID 161463309) is 2-[(3-fluorophenyl)methyl]-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridine is COc1cc(Cc2cccc(Cc3cccc(F)c3)n2)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridine?
The InChIKey is WCCFXPABACXOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c1-17-15-28(16-26-17)23-10-9-19(14-24(23)29-2)13-22-8-4-7-21(27-22)12-18-5-3-6-20(25)11-18/h3-11,14-16H,12-13H2,1-2H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridine?
2-[(3-fluorophenyl)methyl]-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridine has a molecular weight of 387.46 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridine is sourced from PubChem (CID 161463309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).