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

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Related Compounds

Ethyl 4-[3-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-5-pyridin-4-yltriazol-4-yl]benzoate
CID 134131920
Methyl 4-(1H-imidazol-2-yl)benzoate
CID 1475898
2,7-Dimethyl-3-{[(4-methylbenzoyl)oxy]ethanimidoyl}imidazo[1,2-a]pyridine
CID 5524230
4-(4-Phenyl-5-p-tolyl-1H-imidazol-2-yl)-benzoic acid
CID 1101900
Methyl 4-(1H-benzo[d]imidazol-2-yl)benzoate
CID 2328806
Methyl 4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]-benzoate
CID 10133915
4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-1H-imidazol-2-yl]benzoic acid
CID 10619549
4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]benzoic acid
CID 11057468
methyl 5-(4-(trifluoromethyl)phenyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-imidazole-4-carboxylate
CID 11627439
5-(p-Ethoxycarbonylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine hydrochloride
CID 13688214
methyl 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]benzoate
CID 15512298
1-(3H-Imidazol-4-ylmethyl)-4-naphthalen-1-yl-1H-pyrrole-3-carboxylic acid ethyl ester
CID 18670809

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).