4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide

C23H20N4O3 — CID 55985813

IUPAC4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
SMILESCc1c[nH]c(=O)n1-c1ccc(C(=O)Nc2cccc(OCc3ccccn3)c2)cc1
InChIInChI=1S/C23H20N4O3/c1-16-14-25-23(29)27(16)20-10-8-17(9-11-20)22(28)26-18-6-4-7-21(13-18)30-15-19-5-2-3-12-24-19/h2-14H,15H2,1H3,(H,25,29)(H,26,28)
InChIKeyKYDHPVQYJHQMPP-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.70
Rot. Bonds6

About 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide

4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide (PubChem CID 55985813) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
PubChem CID55985813
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
SMILESCc1c[nH]c(=O)n1-c1ccc(C(=O)Nc2cccc(OCc3ccccn3)c2)cc1
InChIInChI=1S/C23H20N4O3/c1-16-14-25-23(29)27(16)20-10-8-17(9-11-20)22(28)26-18-6-4-7-21(13-18)30-15-19-5-2-3-12-24-19/h2-14H,15H2,1H3,(H,25,29)(H,26,28)
InChIKeyKYDHPVQYJHQMPP-UHFFFAOYSA-N
XLogP3.70
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38670554
N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86866369
4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33499844
2-methylsulfanyl-3-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]imidazole-4-carboxamide
CID 38668529
3-phenylmethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33498503
N-[3-(pyridin-2-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 33498777
3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 38669121
5-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1H-indazole-3-carboxamide
CID 78867764
4-(4-acetylpiperazin-1-yl)-3-nitro-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 55653677
4-oxo-3-prop-2-enyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 38670101
3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38669447
3-(3,5-dimethylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide
CID 55653561

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide (CID 55985813) is 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide is Cc1c[nH]c(=O)n1-c1ccc(C(=O)Nc2cccc(OCc3ccccn3)c2)cc1.
What is the InChIKey of 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide?
The InChIKey is KYDHPVQYJHQMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-16-14-25-23(29)27(16)20-10-8-17(9-11-20)22(28)26-18-6-4-7-21(13-18)30-15-19-5-2-3-12-24-19/h2-14H,15H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide?
4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide has a molecular weight of 400.44 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 55985813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).