2-amino-3-pentyl-5,5-diphenylimidazol-4-one

C20H23N3O — CID 44530658

IUPAC2-amino-3-pentyl-5,5-diphenylimidazol-4-one
SMILESCCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N
InChIInChI=1S/C20H23N3O/c1-2-3-10-15-23-18(24)20(22-19(23)21,16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-14H,2-3,10,15H2,1H3,(H2,21,22)
InChIKeyCRQYVKYHAXBELI-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.28
Rot. Bonds6

About 2-amino-3-pentyl-5,5-diphenylimidazol-4-one

2-amino-3-pentyl-5,5-diphenylimidazol-4-one (PubChem CID 44530658) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-amino-3-pentyl-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-pentyl-5,5-diphenylimidazol-4-one
PubChem CID44530658
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-amino-3-pentyl-5,5-diphenylimidazol-4-one
SMILESCCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N
InChIInChI=1S/C20H23N3O/c1-2-3-10-15-23-18(24)20(22-19(23)21,16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-14H,2-3,10,15H2,1H3,(H2,21,22)
InChIKeyCRQYVKYHAXBELI-UHFFFAOYSA-N
XLogP3.28
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-pentyl-5,5-diphenylimidazol-4-one?
The IUPAC name of 2-amino-3-pentyl-5,5-diphenylimidazol-4-one (CID 44530658) is 2-amino-3-pentyl-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 2-amino-3-pentyl-5,5-diphenylimidazol-4-one?
The canonical SMILES for 2-amino-3-pentyl-5,5-diphenylimidazol-4-one is CCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.
What is the InChIKey of 2-amino-3-pentyl-5,5-diphenylimidazol-4-one?
The InChIKey is CRQYVKYHAXBELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-2-3-10-15-23-18(24)20(22-19(23)21,16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-14H,2-3,10,15H2,1H3,(H2,21,22).
What are the key properties of 2-amino-3-pentyl-5,5-diphenylimidazol-4-one?
2-amino-3-pentyl-5,5-diphenylimidazol-4-one has a molecular weight of 321.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-pentyl-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 44530658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).