4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide

C28H28FN5O2 — CID 59262523

IUPAC4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C28H28FN5O2/c29-23-13-7-8-14-24(23)31-27(36)33-17-15-20(16-18-33)19-34-25(35)28(32-26(34)30,21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,20H,15-19H2,(H2,30,32)(H,31,36)
InChIKeyHEEXBXPOOPCEBM-UHFFFAOYSA-N
MW485.56 g/mol
LogP4.17
Rot. Bonds5

About 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide

4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide (PubChem CID 59262523) has the molecular formula C28H28FN5O2 and a molecular weight of 485.56 g/mol. Its IUPAC name is 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
PubChem CID59262523
Molecular FormulaC28H28FN5O2
Molecular Weight485.56 g/mol
Exact Mass485.22
IUPAC Name4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C28H28FN5O2/c29-23-13-7-8-14-24(23)31-27(36)33-17-15-20(16-18-33)19-34-25(35)28(32-26(34)30,21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,20H,15-19H2,(H2,30,32)(H,31,36)
InChIKeyHEEXBXPOOPCEBM-UHFFFAOYSA-N
XLogP4.17
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 59387080
2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one
CID 59262372
2-amino-3-[[1-[(2S)-2-amino-2-phenylacetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one
CID 70304549
2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one
CID 25006053
2-amino-3-[[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one
CID 59388633
1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-(2-fluorophenyl)urea
CID 11568495
2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one
CID 58425188
4-[(2-amino-4-cyclohexa-1,3-dien-1-yl-5-oxo-4-phenylimidazol-1-yl)methyl]-N-(5-methoxycyclohexa-2,4-dien-1-yl)piperidine-1-carboxamide
CID 143244196
N-(2-fluorophenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide
CID 91903548
4-[(2-amino-4-cyclohexa-2,4-dien-1-yl-5-oxo-4-phenylimidazol-1-yl)methyl]-N-benzylpiperidine-1-carboxamide
CID 145460858
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide (CID 59262523) is 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)Nc2ccccc2F)CC1.
What is the InChIKey of 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is HEEXBXPOOPCEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O2/c29-23-13-7-8-14-24(23)31-27(36)33-17-15-20(16-18-33)19-34-25(35)28(32-26(34)30,21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,20H,15-19H2,(H2,30,32)(H,31,36).
What are the key properties of 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide?
4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 485.56 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 59262523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).