2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one

C26H24N4O — CID 89248264

IUPAC2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(N)=C2CC2)c1
InChIInChI=1S/C26H24N4O/c27-23(19-14-15-19)20-9-7-8-18(16-20)17-30-24(31)26(29-25(30)28,21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-13,16H,14-15,17,27H2,(H2,28,29)
InChIKeyLBJAWLHUTRRYNK-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.75
Rot. Bonds5

About 2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one

2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one (PubChem CID 89248264) has the molecular formula C26H24N4O and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
PubChem CID89248264
Molecular FormulaC26H24N4O
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(N)=C2CC2)c1
InChIInChI=1S/C26H24N4O/c27-23(19-14-15-19)20-9-7-8-18(16-20)17-30-24(31)26(29-25(30)28,21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-13,16H,14-15,17,27H2,(H2,28,29)
InChIKeyLBJAWLHUTRRYNK-UHFFFAOYSA-N
XLogP3.75
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one?
The IUPAC name of 2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one (CID 89248264) is 2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one?
The canonical SMILES for 2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(N)=C2CC2)c1.
What is the InChIKey of 2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one?
The InChIKey is LBJAWLHUTRRYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c27-23(19-14-15-19)20-9-7-8-18(16-20)17-30-24(31)26(29-25(30)28,21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-13,16H,14-15,17,27H2,(H2,28,29).
What are the key properties of 2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one?
2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one has a molecular weight of 408.50 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 89248264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).