2-amino-5,5-diphenyl-3-(3-propan-2-yloxypropyl)imidazol-4-one

C21H25N3O2 — CID 59388082

IUPAC2-amino-5,5-diphenyl-3-(3-propan-2-yloxypropyl)imidazol-4-one
SMILESCC(C)OCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N
InChIInChI=1S/C21H25N3O2/c1-16(2)26-15-9-14-24-19(25)21(23-20(24)22,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3,(H2,22,23)
InChIKeyQCTGQRNZQIVUOF-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.90
Rot. Bonds7

About 2-amino-5,5-diphenyl-3-(3-propan-2-yloxypropyl)imidazol-4-one

2-amino-5,5-diphenyl-3-(3-propan-2-yloxypropyl)imidazol-4-one (PubChem CID 59388082) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-amino-5,5-diphenyl-3-(3-propan-2-yloxypropyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5,5-diphenyl-3-(3-propan-2-yloxypropyl)imidazol-4-one
PubChem CID59388082
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-amino-5,5-diphenyl-3-(3-propan-2-yloxypropyl)imidazol-4-one
SMILESCC(C)OCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N
InChIInChI=1S/C21H25N3O2/c1-16(2)26-15-9-14-24-19(25)21(23-20(24)22,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3,(H2,22,23)
InChIKeyQCTGQRNZQIVUOF-UHFFFAOYSA-N
XLogP2.90
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
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-5,5-diphenyl-3-(3-propan-2-yloxypropyl)imidazol-4-one?
The IUPAC name of 2-amino-5,5-diphenyl-3-(3-propan-2-yloxypropyl)imidazol-4-one (CID 59388082) is 2-amino-5,5-diphenyl-3-(3-propan-2-yloxypropyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5,5-diphenyl-3-(3-propan-2-yloxypropyl)imidazol-4-one?
The canonical SMILES for 2-amino-5,5-diphenyl-3-(3-propan-2-yloxypropyl)imidazol-4-one is CC(C)OCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.
What is the InChIKey of 2-amino-5,5-diphenyl-3-(3-propan-2-yloxypropyl)imidazol-4-one?
The InChIKey is QCTGQRNZQIVUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16(2)26-15-9-14-24-19(25)21(23-20(24)22,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3,(H2,22,23).
What are the key properties of 2-amino-5,5-diphenyl-3-(3-propan-2-yloxypropyl)imidazol-4-one?
2-amino-5,5-diphenyl-3-(3-propan-2-yloxypropyl)imidazol-4-one has a molecular weight of 351.45 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-diphenyl-3-(3-propan-2-yloxypropyl)imidazol-4-one is sourced from PubChem (CID 59388082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).