N-benzyl-4-(4-fluorophenyl)-5-formyl-1-propan-2-ylimidazole-2-carboxamide

C21H20FN3O2 — CID 87888262

IUPACN-benzyl-4-(4-fluorophenyl)-5-formyl-1-propan-2-ylimidazole-2-carboxamide
SMILESCC(C)n1c(C(=O)NCc2ccccc2)nc(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C21H20FN3O2/c1-14(2)25-18(13-26)19(16-8-10-17(22)11-9-16)24-20(25)21(27)23-12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,23,27)
InChIKeyRBKDCUATVMGMMB-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.01
Rot. Bonds6

About N-benzyl-4-(4-fluorophenyl)-5-formyl-1-propan-2-ylimidazole-2-carboxamide

N-benzyl-4-(4-fluorophenyl)-5-formyl-1-propan-2-ylimidazole-2-carboxamide (PubChem CID 87888262) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-benzyl-4-(4-fluorophenyl)-5-formyl-1-propan-2-ylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(4-fluorophenyl)-5-formyl-1-propan-2-ylimidazole-2-carboxamide
PubChem CID87888262
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-benzyl-4-(4-fluorophenyl)-5-formyl-1-propan-2-ylimidazole-2-carboxamide
SMILESCC(C)n1c(C(=O)NCc2ccccc2)nc(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C21H20FN3O2/c1-14(2)25-18(13-26)19(16-8-10-17(22)11-9-16)24-20(25)21(27)23-12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,23,27)
InChIKeyRBKDCUATVMGMMB-UHFFFAOYSA-N
XLogP4.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805807
N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1356321
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 134793631
CID 134787407
CID 134787407
N-benzyl-4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide
CID 22912147
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide
CID 134791778
6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198505
2-N-[(4-fluorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093645
sodium (E,3R,5S)-7-[3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyhept-6-enoate
CID 159824944
sodium;(3R,5R)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;hydride
CID 173165996
N-[(4-fluorophenyl)methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2592153
N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 9232879

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-fluorophenyl)-5-formyl-1-propan-2-ylimidazole-2-carboxamide?
The IUPAC name of N-benzyl-4-(4-fluorophenyl)-5-formyl-1-propan-2-ylimidazole-2-carboxamide (CID 87888262) is N-benzyl-4-(4-fluorophenyl)-5-formyl-1-propan-2-ylimidazole-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(4-fluorophenyl)-5-formyl-1-propan-2-ylimidazole-2-carboxamide?
The canonical SMILES for N-benzyl-4-(4-fluorophenyl)-5-formyl-1-propan-2-ylimidazole-2-carboxamide is CC(C)n1c(C(=O)NCc2ccccc2)nc(-c2ccc(F)cc2)c1C=O.
What is the InChIKey of N-benzyl-4-(4-fluorophenyl)-5-formyl-1-propan-2-ylimidazole-2-carboxamide?
The InChIKey is RBKDCUATVMGMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-14(2)25-18(13-26)19(16-8-10-17(22)11-9-16)24-20(25)21(27)23-12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,23,27).
What are the key properties of N-benzyl-4-(4-fluorophenyl)-5-formyl-1-propan-2-ylimidazole-2-carboxamide?
N-benzyl-4-(4-fluorophenyl)-5-formyl-1-propan-2-ylimidazole-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-fluorophenyl)-5-formyl-1-propan-2-ylimidazole-2-carboxamide is sourced from PubChem (CID 87888262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).