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

C32H30N4O2 — CID 155059056

IUPAC3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-methyl-N-(1-phenylethyl)benzamide
SMILESCC(c1ccccc1)N(C)C(=O)c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1
InChIInChI=1S/C32H30N4O2/c1-23(25-14-6-3-7-15-25)35(2)29(37)26-16-12-13-24(21-26)22-36-30(38)32(34-31(36)33,27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-21,23H,22H2,1-2H3,(H2,33,34)
InChIKeyZVMUZPZJSFWZPI-UHFFFAOYSA-N
MW502.62 g/mol
LogP5.12
Rot. Bonds7

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

3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-methyl-N-(1-phenylethyl)benzamide (PubChem CID 155059056) has the molecular formula C32H30N4O2 and a molecular weight of 502.62 g/mol. Its IUPAC name is 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-methyl-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-methyl-N-(1-phenylethyl)benzamide
PubChem CID155059056
Molecular FormulaC32H30N4O2
Molecular Weight502.62 g/mol
Exact Mass502.24
IUPAC Name3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-methyl-N-(1-phenylethyl)benzamide
SMILESCC(c1ccccc1)N(C)C(=O)c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1
InChIInChI=1S/C32H30N4O2/c1-23(25-14-6-3-7-15-25)35(2)29(37)26-16-12-13-24(21-26)22-36-30(38)32(34-31(36)33,27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-21,23H,22H2,1-2H3,(H2,33,34)
InChIKeyZVMUZPZJSFWZPI-UHFFFAOYSA-N
XLogP5.12
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-methyl-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-methyl-N-(1-phenylethyl)benzamide (CID 155059056) is 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-methyl-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-methyl-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-methyl-N-(1-phenylethyl)benzamide is CC(c1ccccc1)N(C)C(=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-methyl-N-(1-phenylethyl)benzamide?
The InChIKey is ZVMUZPZJSFWZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O2/c1-23(25-14-6-3-7-15-25)35(2)29(37)26-16-12-13-24(21-26)22-36-30(38)32(34-31(36)33,27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-21,23H,22H2,1-2H3,(H2,33,34).
What are the key properties of 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-methyl-N-(1-phenylethyl)benzamide?
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-methyl-N-(1-phenylethyl)benzamide has a molecular weight of 502.62 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 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-methyl-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 155059056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).