methyl 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzoate

C27H22N4O2 — CID 59869031

IUPACmethyl 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)c1
InChIInChI=1S/C27H22N4O2/c1-17-6-3-10-23(29-17)26-25(20-11-12-22-19(16-20)9-5-13-28-22)30-24(31-26)15-18-7-4-8-21(14-18)27(32)33-2/h3-14,16H,15H2,1-2H3,(H,30,31)
InChIKeyPFJMJNKNTOVIAV-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.37
Rot. Bonds5

About methyl 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzoate

methyl 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzoate (PubChem CID 59869031) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is methyl 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzoate
PubChem CID59869031
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC Namemethyl 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)c1
InChIInChI=1S/C27H22N4O2/c1-17-6-3-10-23(29-17)26-25(20-11-12-22-19(16-20)9-5-13-28-22)30-24(31-26)15-18-7-4-8-21(14-18)27(32)33-2/h3-14,16H,15H2,1-2H3,(H,30,31)
InChIKeyPFJMJNKNTOVIAV-UHFFFAOYSA-N
XLogP5.37
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzoate?
The IUPAC name of methyl 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzoate (CID 59869031) is methyl 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzoate.
What is the SMILES notation for methyl 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzoate?
The canonical SMILES for methyl 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzoate is COC(=O)c1cccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)c1.
What is the InChIKey of methyl 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzoate?
The InChIKey is PFJMJNKNTOVIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2/c1-17-6-3-10-23(29-17)26-25(20-11-12-22-19(16-20)9-5-13-28-22)30-24(31-26)15-18-7-4-8-21(14-18)27(32)33-2/h3-14,16H,15H2,1-2H3,(H,30,31).
What are the key properties of methyl 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzoate?
methyl 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzoate has a molecular weight of 434.50 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzoate is sourced from PubChem (CID 59869031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).