methyl 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)benzoate

C22H17N3O2 — CID 10665884

IUPACmethyl 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)benzoate
SMILESCOC(=O)c1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C22H17N3O2/c1-27-22(26)18-9-7-15(8-10-18)19-20(16-11-13-23-14-12-16)25-21(24-19)17-5-3-2-4-6-17/h2-14H,1H3,(H,24,25)
InChIKeyBTUXDHINVDWEQX-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.59
Rot. Bonds4

About methyl 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)benzoate

methyl 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)benzoate (PubChem CID 10665884) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is methyl 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)benzoate
PubChem CID10665884
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Namemethyl 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)benzoate
SMILESCOC(=O)c1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C22H17N3O2/c1-27-22(26)18-9-7-15(8-10-18)19-20(16-11-13-23-14-12-16)25-21(24-19)17-5-3-2-4-6-17/h2-14H,1H3,(H,24,25)
InChIKeyBTUXDHINVDWEQX-UHFFFAOYSA-N
XLogP4.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)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 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)benzoate?
The IUPAC name of methyl 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)benzoate (CID 10665884) is methyl 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)benzoate.
What is the SMILES notation for methyl 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)benzoate?
The canonical SMILES for methyl 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)benzoate is COC(=O)c1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)cc1.
What is the InChIKey of methyl 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)benzoate?
The InChIKey is BTUXDHINVDWEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-27-22(26)18-9-7-15(8-10-18)19-20(16-11-13-23-14-12-16)25-21(24-19)17-5-3-2-4-6-17/h2-14H,1H3,(H,24,25).
What are the key properties of methyl 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)benzoate?
methyl 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)benzoate has a molecular weight of 355.40 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)benzoate is sourced from PubChem (CID 10665884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).