2-[4-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine;2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine

C46H36ClFN6O4 — CID 159425847

IUPAC2-[4-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine;2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine
SMILESCc1cccc(-c2[nH]c(Cc3cccc(Cl)c3)nc2-c2ccc3c(c2)OCO3)n1.Cc1cccc(-c2[nH]c(Cc3cccc(F)c3)nc2-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C23H18ClN3O2.C23H18FN3O2/c2*1-14-4-2-7-18(25-14)23-22(16-8-9-19-20(12-16)29-13-28-19)26-21(27-23)11-15-5-3-6-17(24)10-15/h2*2-10,12H,11,13H2,1H3,(H,26,27)
InChIKeyLQIMQPJGWRVIBV-UHFFFAOYSA-N
MW791.28 g/mol
LogP10.33
Rot. Bonds8

About 2-[4-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine;2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine

2-[4-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine;2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine (PubChem CID 159425847) has the molecular formula C46H36ClFN6O4 and a molecular weight of 791.28 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine;2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine;2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine
PubChem CID159425847
Molecular FormulaC46H36ClFN6O4
Molecular Weight791.28 g/mol
Exact Mass790.25
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine;2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine
SMILESCc1cccc(-c2[nH]c(Cc3cccc(Cl)c3)nc2-c2ccc3c(c2)OCO3)n1.Cc1cccc(-c2[nH]c(Cc3cccc(F)c3)nc2-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C23H18ClN3O2.C23H18FN3O2/c2*1-14-4-2-7-18(25-14)23-22(16-8-9-19-20(12-16)29-13-28-19)26-21(27-23)11-15-5-3-6-17(24)10-15/h2*2-10,12H,11,13H2,1H3,(H,26,27)
InChIKeyLQIMQPJGWRVIBV-UHFFFAOYSA-N
XLogP10.33
TPSA120.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.28
LogP ≤ 510.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine;2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine with MolForge

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Related Compounds

2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine
CID 44546379
2-[4-(1,3-benzodioxol-5-yl)-2-butyl-1H-imidazol-5-yl]-6-methylpyridine
CID 142081726
6-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline
CID 44546194
N-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]thiophene-2-carboxamide
CID 10158985
[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidin-1-yl]-(3-chlorophenyl)methanone
CID 10028961
N-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-benzoylbenzamide
CID 10186138
4-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
CID 141252966
2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenol
CID 59160535
6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline
CID 44545647
4-(1,3-benzodioxol-5-yl)-2-methyl-5-(6-methyl-2-pyridinyl)-1,3-thiazole
CID 68885515
6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline
CID 44545580
4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-N-ethylbicyclo[2.2.2]octane-1-carboxamide
CID 69010283

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine;2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine;2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine (CID 159425847) is 2-[4-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine;2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine;2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine;2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine is Cc1cccc(-c2[nH]c(Cc3cccc(Cl)c3)nc2-c2ccc3c(c2)OCO3)n1.Cc1cccc(-c2[nH]c(Cc3cccc(F)c3)nc2-c2ccc3c(c2)OCO3)n1.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine;2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine?
The InChIKey is LQIMQPJGWRVIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2.C23H18FN3O2/c2*1-14-4-2-7-18(25-14)23-22(16-8-9-19-20(12-16)29-13-28-19)26-21(27-23)11-15-5-3-6-17(24)10-15/h2*2-10,12H,11,13H2,1H3,(H,26,27).
What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine;2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine?
2-[4-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine;2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine has a molecular weight of 791.28 g/mol, XLogP of 10.33, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine;2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine is sourced from PubChem (CID 159425847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).