3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide

C27H28N4O2 — CID 59387439

IUPAC3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1
InChIInChI=1S/C27H28N4O2/c1-19(2)17-29-24(32)21-11-9-10-20(16-21)18-31-25(33)27(30-26(31)28,22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-16,19H,17-18H2,1-2H3,(H2,28,30)(H,29,32)
InChIKeyGIVPVPYBYNJNAK-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.67
Rot. Bonds7

About 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide

3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide (PubChem CID 59387439) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
PubChem CID59387439
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1
InChIInChI=1S/C27H28N4O2/c1-19(2)17-29-24(32)21-11-9-10-20(16-21)18-31-25(33)27(30-26(31)28,22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-16,19H,17-18H2,1-2H3,(H2,28,30)(H,29,32)
InChIKeyGIVPVPYBYNJNAK-UHFFFAOYSA-N
XLogP3.67
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-butan-2-ylbenzamide
CID 59387294
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-methyl-N-(1-phenylethyl)benzamide
CID 155059056
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 59388257
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 70134938
2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one
CID 145460426
2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 89248264
methyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate
CID 59388667
N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide
CID 59386736
2-amino-3-[[3-(6-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 135155854
5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 135163324
3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]benzonitrile
CID 59387179
N,3-bis(2-methylpropyl)benzamide
CID 176945198

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide (CID 59387439) is 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.
What is the InChIKey of 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is GIVPVPYBYNJNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-19(2)17-29-24(32)21-11-9-10-20(16-21)18-31-25(33)27(30-26(31)28,22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-16,19H,17-18H2,1-2H3,(H2,28,30)(H,29,32).
What are the key properties of 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide?
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 440.55 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 59387439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).