1-(2-fluorophenyl)-3-[4-[2-(2-methyl-5-oxo-4,4-diphenylimidazol-1-yl)acetyl]phenyl]urea

C31H25FN4O3 — CID 25255666

IUPAC1-(2-fluorophenyl)-3-[4-[2-(2-methyl-5-oxo-4,4-diphenylimidazol-1-yl)acetyl]phenyl]urea
SMILESCC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C31H25FN4O3/c1-21-35-31(23-10-4-2-5-11-23,24-12-6-3-7-13-24)29(38)36(21)20-28(37)22-16-18-25(19-17-22)33-30(39)34-27-15-9-8-14-26(27)32/h2-19H,20H2,1H3,(H2,33,34,39)
InChIKeyXSNZJNVQKKCTCP-UHFFFAOYSA-N
MW520.56 g/mol
LogP5.86
Rot. Bonds7

About 1-(2-fluorophenyl)-3-[4-[2-(2-methyl-5-oxo-4,4-diphenylimidazol-1-yl)acetyl]phenyl]urea

1-(2-fluorophenyl)-3-[4-[2-(2-methyl-5-oxo-4,4-diphenylimidazol-1-yl)acetyl]phenyl]urea (PubChem CID 25255666) has the molecular formula C31H25FN4O3 and a molecular weight of 520.56 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[4-[2-(2-methyl-5-oxo-4,4-diphenylimidazol-1-yl)acetyl]phenyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[4-[2-(2-methyl-5-oxo-4,4-diphenylimidazol-1-yl)acetyl]phenyl]urea
PubChem CID25255666
Molecular FormulaC31H25FN4O3
Molecular Weight520.56 g/mol
Exact Mass520.19
IUPAC Name1-(2-fluorophenyl)-3-[4-[2-(2-methyl-5-oxo-4,4-diphenylimidazol-1-yl)acetyl]phenyl]urea
SMILESCC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C31H25FN4O3/c1-21-35-31(23-10-4-2-5-11-23,24-12-6-3-7-13-24)29(38)36(21)20-28(37)22-16-18-25(19-17-22)33-30(39)34-27-15-9-8-14-26(27)32/h2-19H,20H2,1H3,(H2,33,34,39)
InChIKeyXSNZJNVQKKCTCP-UHFFFAOYSA-N
XLogP5.86
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.56
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-(2-fluorophenyl)urea
CID 11568495
4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180579
4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 59262523
3-methyl-N-[4-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]butanamide
CID 7171116
1-(4-butan-2-ylphenyl)-3-(2-fluorophenyl)urea
CID 17398492
N-[4-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
CID 4814138
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(2-fluorophenyl)urea
CID 122305455
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 2582848
1-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-3-(2-fluorophenyl)urea
CID 46271238
1-(2-fluorophenyl)-3-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea
CID 91889162
N-[4-[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
CID 7178363
N-[4-[2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
CID 7178360

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[4-[2-(2-methyl-5-oxo-4,4-diphenylimidazol-1-yl)acetyl]phenyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[4-[2-(2-methyl-5-oxo-4,4-diphenylimidazol-1-yl)acetyl]phenyl]urea (CID 25255666) is 1-(2-fluorophenyl)-3-[4-[2-(2-methyl-5-oxo-4,4-diphenylimidazol-1-yl)acetyl]phenyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[4-[2-(2-methyl-5-oxo-4,4-diphenylimidazol-1-yl)acetyl]phenyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[4-[2-(2-methyl-5-oxo-4,4-diphenylimidazol-1-yl)acetyl]phenyl]urea is CC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[4-[2-(2-methyl-5-oxo-4,4-diphenylimidazol-1-yl)acetyl]phenyl]urea?
The InChIKey is XSNZJNVQKKCTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25FN4O3/c1-21-35-31(23-10-4-2-5-11-23,24-12-6-3-7-13-24)29(38)36(21)20-28(37)22-16-18-25(19-17-22)33-30(39)34-27-15-9-8-14-26(27)32/h2-19H,20H2,1H3,(H2,33,34,39).
What are the key properties of 1-(2-fluorophenyl)-3-[4-[2-(2-methyl-5-oxo-4,4-diphenylimidazol-1-yl)acetyl]phenyl]urea?
1-(2-fluorophenyl)-3-[4-[2-(2-methyl-5-oxo-4,4-diphenylimidazol-1-yl)acetyl]phenyl]urea has a molecular weight of 520.56 g/mol, XLogP of 5.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[4-[2-(2-methyl-5-oxo-4,4-diphenylimidazol-1-yl)acetyl]phenyl]urea is sourced from PubChem (CID 25255666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).