2-amino-3-(4-aminobutyl)-5,5-diphenylimidazol-4-one

C19H22N4O — CID 89248187

IUPAC2-amino-3-(4-aminobutyl)-5,5-diphenylimidazol-4-one
SMILESNCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N
InChIInChI=1S/C19H22N4O/c20-13-7-8-14-23-17(24)19(22-18(23)21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14,20H2,(H2,21,22)
InChIKeyXUAUSKKGCSGZJM-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.83
Rot. Bonds6

About 2-amino-3-(4-aminobutyl)-5,5-diphenylimidazol-4-one

2-amino-3-(4-aminobutyl)-5,5-diphenylimidazol-4-one (PubChem CID 89248187) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-amino-3-(4-aminobutyl)-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-(4-aminobutyl)-5,5-diphenylimidazol-4-one
PubChem CID89248187
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-amino-3-(4-aminobutyl)-5,5-diphenylimidazol-4-one
SMILESNCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N
InChIInChI=1S/C19H22N4O/c20-13-7-8-14-23-17(24)19(22-18(23)21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14,20H2,(H2,21,22)
InChIKeyXUAUSKKGCSGZJM-UHFFFAOYSA-N
XLogP1.83
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-aminobutyl)-5,5-diphenylimidazol-4-one?
The IUPAC name of 2-amino-3-(4-aminobutyl)-5,5-diphenylimidazol-4-one (CID 89248187) is 2-amino-3-(4-aminobutyl)-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 2-amino-3-(4-aminobutyl)-5,5-diphenylimidazol-4-one?
The canonical SMILES for 2-amino-3-(4-aminobutyl)-5,5-diphenylimidazol-4-one is NCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.
What is the InChIKey of 2-amino-3-(4-aminobutyl)-5,5-diphenylimidazol-4-one?
The InChIKey is XUAUSKKGCSGZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c20-13-7-8-14-23-17(24)19(22-18(23)21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14,20H2,(H2,21,22).
What are the key properties of 2-amino-3-(4-aminobutyl)-5,5-diphenylimidazol-4-one?
2-amino-3-(4-aminobutyl)-5,5-diphenylimidazol-4-one has a molecular weight of 322.41 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-aminobutyl)-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 89248187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).