2-amino-3-[8-(3-fluorophenyl)-6-oxooctyl]-5,5-diphenylimidazol-4-one

C29H30FN3O2 — CID 90943143

IUPAC2-amino-3-[8-(3-fluorophenyl)-6-oxooctyl]-5,5-diphenylimidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCCC(=O)CCc1cccc(F)c1
InChIInChI=1S/C29H30FN3O2/c30-25-16-10-11-22(21-25)18-19-26(34)17-8-3-9-20-33-27(35)29(32-28(33)31,23-12-4-1-5-13-23)24-14-6-2-7-15-24/h1-2,4-7,10-16,21H,3,8-9,17-20H2,(H2,31,32)
InChIKeyDRZVDUYSPPYNOU-UHFFFAOYSA-N
MW471.58 g/mol
LogP4.99
Rot. Bonds11

About 2-amino-3-[8-(3-fluorophenyl)-6-oxooctyl]-5,5-diphenylimidazol-4-one

2-amino-3-[8-(3-fluorophenyl)-6-oxooctyl]-5,5-diphenylimidazol-4-one (PubChem CID 90943143) has the molecular formula C29H30FN3O2 and a molecular weight of 471.58 g/mol. Its IUPAC name is 2-amino-3-[8-(3-fluorophenyl)-6-oxooctyl]-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-[8-(3-fluorophenyl)-6-oxooctyl]-5,5-diphenylimidazol-4-one
PubChem CID90943143
Molecular FormulaC29H30FN3O2
Molecular Weight471.58 g/mol
Exact Mass471.23
IUPAC Name2-amino-3-[8-(3-fluorophenyl)-6-oxooctyl]-5,5-diphenylimidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCCC(=O)CCc1cccc(F)c1
InChIInChI=1S/C29H30FN3O2/c30-25-16-10-11-22(21-25)18-19-26(34)17-8-3-9-20-33-27(35)29(32-28(33)31,23-12-4-1-5-13-23)24-14-6-2-7-15-24/h1-2,4-7,10-16,21H,3,8-9,17-20H2,(H2,31,32)
InChIKeyDRZVDUYSPPYNOU-UHFFFAOYSA-N
XLogP4.99
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(4-aminobutyl)-5,5-diphenylimidazol-4-one
CID 89248187
2-amino-3-[(3-chlorophenyl)methyl]-5-[5-(3-fluorophenyl)-3-oxopentyl]-5-methylimidazol-4-one
CID 58425050
propan-2-yl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-phenyloctan-2-yl]carbamate
CID 153127699
1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-(2-fluorophenyl)urea
CID 11568495
methyl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-pyridin-4-yloctan-2-yl]carbamate
CID 157129627
2-amino-5,5-diphenyl-3-(3-propan-2-yloxypropyl)imidazol-4-one
CID 59388082
2-amino-3-[[3-(6-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 135155854
methyl N-[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]carbamate
CID 146223995
2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 89248264
N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide
CID 59386736
1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methylphenyl)urea
CID 59387508
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 59387439

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[8-(3-fluorophenyl)-6-oxooctyl]-5,5-diphenylimidazol-4-one?
The IUPAC name of 2-amino-3-[8-(3-fluorophenyl)-6-oxooctyl]-5,5-diphenylimidazol-4-one (CID 90943143) is 2-amino-3-[8-(3-fluorophenyl)-6-oxooctyl]-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 2-amino-3-[8-(3-fluorophenyl)-6-oxooctyl]-5,5-diphenylimidazol-4-one?
The canonical SMILES for 2-amino-3-[8-(3-fluorophenyl)-6-oxooctyl]-5,5-diphenylimidazol-4-one is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCCC(=O)CCc1cccc(F)c1.
What is the InChIKey of 2-amino-3-[8-(3-fluorophenyl)-6-oxooctyl]-5,5-diphenylimidazol-4-one?
The InChIKey is DRZVDUYSPPYNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O2/c30-25-16-10-11-22(21-25)18-19-26(34)17-8-3-9-20-33-27(35)29(32-28(33)31,23-12-4-1-5-13-23)24-14-6-2-7-15-24/h1-2,4-7,10-16,21H,3,8-9,17-20H2,(H2,31,32).
What are the key properties of 2-amino-3-[8-(3-fluorophenyl)-6-oxooctyl]-5,5-diphenylimidazol-4-one?
2-amino-3-[8-(3-fluorophenyl)-6-oxooctyl]-5,5-diphenylimidazol-4-one has a molecular weight of 471.58 g/mol, XLogP of 4.99, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[8-(3-fluorophenyl)-6-oxooctyl]-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 90943143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).