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

C28H28ClN5O2 — CID 59387080

IUPAC4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C28H28ClN5O2/c29-23-12-7-13-24(18-23)31-27(36)33-16-14-20(15-17-33)19-34-25(35)28(32-26(34)30,21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,18,20H,14-17,19H2,(H2,30,32)(H,31,36)
InChIKeyYVPJEGAJVAFNFU-UHFFFAOYSA-N
MW502.02 g/mol
LogP4.68
Rot. Bonds5

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

4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide (PubChem CID 59387080) has the molecular formula C28H28ClN5O2 and a molecular weight of 502.02 g/mol. Its IUPAC name is 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide
PubChem CID59387080
Molecular FormulaC28H28ClN5O2
Molecular Weight502.02 g/mol
Exact Mass501.19
IUPAC Name4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C28H28ClN5O2/c29-23-12-7-13-24(18-23)31-27(36)33-16-14-20(15-17-33)19-34-25(35)28(32-26(34)30,21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,18,20H,14-17,19H2,(H2,30,32)(H,31,36)
InChIKeyYVPJEGAJVAFNFU-UHFFFAOYSA-N
XLogP4.68
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.02
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one
CID 59262372
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090
2-amino-3-[[1-[(2S)-2-amino-2-phenylacetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one
CID 70304549
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169
N-(3-chlorophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
CID 53005028
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689912
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478442
N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide
CID 121178780
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
N-(3-chlorophenyl)-4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
CID 121156730

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide (CID 59387080) is 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide?
The InChIKey is YVPJEGAJVAFNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN5O2/c29-23-12-7-13-24(18-23)31-27(36)33-16-14-20(15-17-33)19-34-25(35)28(32-26(34)30,21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,18,20H,14-17,19H2,(H2,30,32)(H,31,36).
What are the key properties of 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide?
4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide has a molecular weight of 502.02 g/mol, XLogP of 4.68, 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-(3-chlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 59387080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).