1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-(2-fluorophenyl)urea

C25H24FN5O2 — CID 11568495

IUPAC1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-(2-fluorophenyl)urea
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCNC(=O)Nc1ccccc1F
InChIInChI=1S/C25H24FN5O2/c26-20-14-7-8-15-21(20)29-24(33)28-16-9-17-31-22(32)25(30-23(31)27,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-8,10-15H,9,16-17H2,(H2,27,30)(H2,28,29,33)
InChIKeyPYXUKJASMGUSGF-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.44
Rot. Bonds7

About 1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-(2-fluorophenyl)urea

1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-(2-fluorophenyl)urea (PubChem CID 11568495) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-(2-fluorophenyl)urea
PubChem CID11568495
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-(2-fluorophenyl)urea
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCNC(=O)Nc1ccccc1F
InChIInChI=1S/C25H24FN5O2/c26-20-14-7-8-15-21(20)29-24(33)28-16-9-17-31-22(32)25(30-23(31)27,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-8,10-15H,9,16-17H2,(H2,27,30)(H2,28,29,33)
InChIKeyPYXUKJASMGUSGF-UHFFFAOYSA-N
XLogP3.44
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methylphenyl)urea
CID 59387508
4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 59262523
trans-(1R,2R)-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide
CID 89005013
1-(2-fluorophenyl)-3-[4-[2-(2-methyl-5-oxo-4,4-diphenylimidazol-1-yl)acetyl]phenyl]urea
CID 25255666
2-amino-3-[8-(3-fluorophenyl)-6-oxooctyl]-5,5-diphenylimidazol-4-one
CID 90943143
2-amino-5,5-diphenyl-3-(3-propan-2-yloxypropyl)imidazol-4-one
CID 59388082
1-(2-fluorophenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea
CID 122277567
1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 24588095
1-(3-chloro-2-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889330
1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea
CID 47081878
3-(benzylcarbamoylamino)-N-(2-fluorophenyl)propanamide
CID 17473263
propan-2-yl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-phenyloctan-2-yl]carbamate
CID 153127699

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-(2-fluorophenyl)urea (CID 11568495) is 1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-(2-fluorophenyl)urea is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCNC(=O)Nc1ccccc1F.
What is the InChIKey of 1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-(2-fluorophenyl)urea?
The InChIKey is PYXUKJASMGUSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c26-20-14-7-8-15-21(20)29-24(33)28-16-9-17-31-22(32)25(30-23(31)27,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-8,10-15H,9,16-17H2,(H2,27,30)(H2,28,29,33).
What are the key properties of 1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-(2-fluorophenyl)urea?
1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-(2-fluorophenyl)urea has a molecular weight of 445.50 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 11568495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).