methyl 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate

C23H19N3O2 — CID 118303558

IUPACmethyl 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nc(-c3cccc(C)c3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C23H19N3O2/c1-15-4-3-5-19(14-15)21-20(16-10-12-24-13-11-16)25-22(26-21)17-6-8-18(9-7-17)23(27)28-2/h3-14H,1-2H3,(H,25,26)
InChIKeyAOZJPKIKAFEWHY-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.90
Rot. Bonds4

About methyl 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate

methyl 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate (PubChem CID 118303558) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate
PubChem CID118303558
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Namemethyl 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nc(-c3cccc(C)c3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C23H19N3O2/c1-15-4-3-5-19(14-15)21-20(16-10-12-24-13-11-16)25-22(26-21)17-6-8-18(9-7-17)23(27)28-2/h3-14H,1-2H3,(H,25,26)
InChIKeyAOZJPKIKAFEWHY-UHFFFAOYSA-N
XLogP4.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate?
The IUPAC name of methyl 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate (CID 118303558) is methyl 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate.
What is the SMILES notation for methyl 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate?
The canonical SMILES for methyl 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate is COC(=O)c1ccc(-c2nc(-c3cccc(C)c3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of methyl 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate?
The InChIKey is AOZJPKIKAFEWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-15-4-3-5-19(14-15)21-20(16-10-12-24-13-11-16)25-22(26-21)17-6-8-18(9-7-17)23(27)28-2/h3-14H,1-2H3,(H,25,26).
What are the key properties of methyl 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate?
methyl 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate has a molecular weight of 369.42 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate is sourced from PubChem (CID 118303558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).