N-[4-(3-methoxyphenyl)-1-phenylimidazol-2-yl]-4-(2-oxoethyl)benzamide

C25H21N3O3 — CID 143844316

IUPACN-[4-(3-methoxyphenyl)-1-phenylimidazol-2-yl]-4-(2-oxoethyl)benzamide
SMILESCOc1cccc(-c2cn(-c3ccccc3)c(NC(=O)c3ccc(CC=O)cc3)n2)c1
InChIInChI=1S/C25H21N3O3/c1-31-22-9-5-6-20(16-22)23-17-28(21-7-3-2-4-8-21)25(26-23)27-24(30)19-12-10-18(11-13-19)14-15-29/h2-13,15-17H,14H2,1H3,(H,26,27,30)
InChIKeyWSLUFPZUCSXKHL-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.54
Rot. Bonds7

About N-[4-(3-methoxyphenyl)-1-phenylimidazol-2-yl]-4-(2-oxoethyl)benzamide

N-[4-(3-methoxyphenyl)-1-phenylimidazol-2-yl]-4-(2-oxoethyl)benzamide (PubChem CID 143844316) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[4-(3-methoxyphenyl)-1-phenylimidazol-2-yl]-4-(2-oxoethyl)benzamide.

Molecular Properties

Compound NameN-[4-(3-methoxyphenyl)-1-phenylimidazol-2-yl]-4-(2-oxoethyl)benzamide
PubChem CID143844316
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-[4-(3-methoxyphenyl)-1-phenylimidazol-2-yl]-4-(2-oxoethyl)benzamide
SMILESCOc1cccc(-c2cn(-c3ccccc3)c(NC(=O)c3ccc(CC=O)cc3)n2)c1
InChIInChI=1S/C25H21N3O3/c1-31-22-9-5-6-20(16-22)23-17-28(21-7-3-2-4-8-21)25(26-23)27-24(30)19-12-10-18(11-13-19)14-15-29/h2-13,15-17H,14H2,1H3,(H,26,27,30)
InChIKeyWSLUFPZUCSXKHL-UHFFFAOYSA-N
XLogP4.54
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1,3-dioxolan-2-yl)ethyl]-N-(1,4-diphenylimidazol-2-yl)benzamide
CID 70261449
N-[1-cyclohexa-1,3-dien-1-yl-4-(3-methoxyphenyl)imidazol-2-yl]-4-[(E)-2-methoxyethenyl]benzamide
CID 70261169
N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-2-(prop-2-enylamino)acetamide
CID 42825343
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide
CID 46145158
N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 42825400
N-[2-[[4-(3-methoxyphenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46145044
N-(2-methoxyethyl)-N-[2-[[4-(3-methoxyphenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42827111
2-(benzylamino)-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42825352
N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 42826819
N-[4-benzyl-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide
CID 126744189
N-benzyl-N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 46146240
N-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523651

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyphenyl)-1-phenylimidazol-2-yl]-4-(2-oxoethyl)benzamide?
The IUPAC name of N-[4-(3-methoxyphenyl)-1-phenylimidazol-2-yl]-4-(2-oxoethyl)benzamide (CID 143844316) is N-[4-(3-methoxyphenyl)-1-phenylimidazol-2-yl]-4-(2-oxoethyl)benzamide.
What is the SMILES notation for N-[4-(3-methoxyphenyl)-1-phenylimidazol-2-yl]-4-(2-oxoethyl)benzamide?
The canonical SMILES for N-[4-(3-methoxyphenyl)-1-phenylimidazol-2-yl]-4-(2-oxoethyl)benzamide is COc1cccc(-c2cn(-c3ccccc3)c(NC(=O)c3ccc(CC=O)cc3)n2)c1.
What is the InChIKey of N-[4-(3-methoxyphenyl)-1-phenylimidazol-2-yl]-4-(2-oxoethyl)benzamide?
The InChIKey is WSLUFPZUCSXKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-31-22-9-5-6-20(16-22)23-17-28(21-7-3-2-4-8-21)25(26-23)27-24(30)19-12-10-18(11-13-19)14-15-29/h2-13,15-17H,14H2,1H3,(H,26,27,30).
What are the key properties of N-[4-(3-methoxyphenyl)-1-phenylimidazol-2-yl]-4-(2-oxoethyl)benzamide?
N-[4-(3-methoxyphenyl)-1-phenylimidazol-2-yl]-4-(2-oxoethyl)benzamide has a molecular weight of 411.46 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyphenyl)-1-phenylimidazol-2-yl]-4-(2-oxoethyl)benzamide is sourced from PubChem (CID 143844316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).