4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide

C29H30FN5O2 — CID 59262334

IUPAC4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)NCc2cccc(F)c2)CC1
InChIInChI=1S/C29H30FN5O2/c30-25-13-7-8-22(18-25)19-32-28(37)34-16-14-21(15-17-34)20-35-26(36)29(33-27(35)31,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-13,18,21H,14-17,19-20H2,(H2,31,33)(H,32,37)
InChIKeySVMSHUFTFJPFKY-UHFFFAOYSA-N
MW499.59 g/mol
LogP3.85
Rot. Bonds6

About 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide

4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 59262334) has the molecular formula C29H30FN5O2 and a molecular weight of 499.59 g/mol. Its IUPAC name is 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide
PubChem CID59262334
Molecular FormulaC29H30FN5O2
Molecular Weight499.59 g/mol
Exact Mass499.24
IUPAC Name4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)NCc2cccc(F)c2)CC1
InChIInChI=1S/C29H30FN5O2/c30-25-13-7-8-22(18-25)19-32-28(37)34-16-14-21(15-17-34)20-35-26(36)29(33-27(35)31,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-13,18,21H,14-17,19-20H2,(H2,31,33)(H,32,37)
InChIKeySVMSHUFTFJPFKY-UHFFFAOYSA-N
XLogP3.85
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide (CID 59262334) is 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)NCc2cccc(F)c2)CC1.
What is the InChIKey of 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is SVMSHUFTFJPFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN5O2/c30-25-13-7-8-22(18-25)19-32-28(37)34-16-14-21(15-17-34)20-35-26(36)29(33-27(35)31,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-13,18,21H,14-17,19-20H2,(H2,31,33)(H,32,37).
What are the key properties of 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide?
4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 499.59 g/mol, XLogP of 3.85, 6 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-[(3-fluorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 59262334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).