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

C28H28N4O3 — CID 70134938

IUPAC3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C28H28N4O3/c29-27-31-28(22-11-3-1-4-12-22,23-13-5-2-6-14-23)26(34)32(27)19-20-9-7-10-21(17-20)25(33)30-18-24-15-8-16-35-24/h1-7,9-14,17,24H,8,15-16,18-19H2,(H2,29,31)(H,30,33)
InChIKeyITICWVUXVQSMOZ-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.20
Rot. Bonds7

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

3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 70134938) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID70134938
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C28H28N4O3/c29-27-31-28(22-11-3-1-4-12-22,23-13-5-2-6-14-23)26(34)32(27)19-20-9-7-10-21(17-20)25(33)30-18-24-15-8-16-35-24/h1-7,9-14,17,24H,8,15-16,18-19H2,(H2,29,31)(H,30,33)
InChIKeyITICWVUXVQSMOZ-UHFFFAOYSA-N
XLogP3.20
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(oxolan-2-ylmethyl)-5,5-diphenylimidazol-4-one
CID 25063272
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 59388257
N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide
CID 59386736
1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide
CID 95100034
2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one
CID 145460426
3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119305123
3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 138044244
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 55554837
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 95595180
3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 50814389
3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119751896
3-[[(N'-methylcarbamimidoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydroiodide
CID 110918492

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 70134938) is 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is ITICWVUXVQSMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c29-27-31-28(22-11-3-1-4-12-22,23-13-5-2-6-14-23)26(34)32(27)19-20-9-7-10-21(17-20)25(33)30-18-24-15-8-16-35-24/h1-7,9-14,17,24H,8,15-16,18-19H2,(H2,29,31)(H,30,33).
What are the key properties of 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 468.56 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 70134938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).