2-amino-4,4-dibenzyl-1H-imidazol-5-one

C17H17N3O — CID 82988396

IUPAC2-amino-4,4-dibenzyl-1H-imidazol-5-one
SMILESNC1=NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1
InChIInChI=1S/C17H17N3O/c18-16-19-15(21)17(20-16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,18,19,20,21)
InChIKeyNQOZUKRYEJTSGT-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.66
Rot. Bonds4

About 2-amino-4,4-dibenzyl-1H-imidazol-5-one

2-amino-4,4-dibenzyl-1H-imidazol-5-one (PubChem CID 82988396) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-amino-4,4-dibenzyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4,4-dibenzyl-1H-imidazol-5-one
PubChem CID82988396
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-amino-4,4-dibenzyl-1H-imidazol-5-one
SMILESNC1=NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1
InChIInChI=1S/C17H17N3O/c18-16-19-15(21)17(20-16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,18,19,20,21)
InChIKeyNQOZUKRYEJTSGT-UHFFFAOYSA-N
XLogP1.66
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4-dibenzyl-1H-imidazol-5-one?
The IUPAC name of 2-amino-4,4-dibenzyl-1H-imidazol-5-one (CID 82988396) is 2-amino-4,4-dibenzyl-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4,4-dibenzyl-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4,4-dibenzyl-1H-imidazol-5-one is NC1=NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1.
What is the InChIKey of 2-amino-4,4-dibenzyl-1H-imidazol-5-one?
The InChIKey is NQOZUKRYEJTSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-16-19-15(21)17(20-16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,18,19,20,21).
What are the key properties of 2-amino-4,4-dibenzyl-1H-imidazol-5-one?
2-amino-4,4-dibenzyl-1H-imidazol-5-one has a molecular weight of 279.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-dibenzyl-1H-imidazol-5-one is sourced from PubChem (CID 82988396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).