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

C22H18BrN3O — CID 44530592

IUPAC2-amino-3-[(2-bromophenyl)methyl]-5,5-diphenylimidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccccc1Br
InChIInChI=1S/C22H18BrN3O/c23-19-14-8-7-9-16(19)15-26-20(27)22(25-21(26)24,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2,(H2,24,25)
InChIKeyWOCIHGWFUQHYMB-UHFFFAOYSA-N
MW420.31 g/mol
LogP4.05
Rot. Bonds4

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

2-amino-3-[(2-bromophenyl)methyl]-5,5-diphenylimidazol-4-one (PubChem CID 44530592) has the molecular formula C22H18BrN3O and a molecular weight of 420.31 g/mol. Its IUPAC name is 2-amino-3-[(2-bromophenyl)methyl]-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-[(2-bromophenyl)methyl]-5,5-diphenylimidazol-4-one
PubChem CID44530592
Molecular FormulaC22H18BrN3O
Molecular Weight420.31 g/mol
Exact Mass419.06
IUPAC Name2-amino-3-[(2-bromophenyl)methyl]-5,5-diphenylimidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccccc1Br
InChIInChI=1S/C22H18BrN3O/c23-19-14-8-7-9-16(19)15-26-20(27)22(25-21(26)24,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2,(H2,24,25)
InChIKeyWOCIHGWFUQHYMB-UHFFFAOYSA-N
XLogP4.05
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-bromophenyl)methyl]-5,5-diphenylimidazol-4-one?
The IUPAC name of 2-amino-3-[(2-bromophenyl)methyl]-5,5-diphenylimidazol-4-one (CID 44530592) is 2-amino-3-[(2-bromophenyl)methyl]-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 2-amino-3-[(2-bromophenyl)methyl]-5,5-diphenylimidazol-4-one?
The canonical SMILES for 2-amino-3-[(2-bromophenyl)methyl]-5,5-diphenylimidazol-4-one is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccccc1Br.
What is the InChIKey of 2-amino-3-[(2-bromophenyl)methyl]-5,5-diphenylimidazol-4-one?
The InChIKey is WOCIHGWFUQHYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O/c23-19-14-8-7-9-16(19)15-26-20(27)22(25-21(26)24,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2,(H2,24,25).
What are the key properties of 2-amino-3-[(2-bromophenyl)methyl]-5,5-diphenylimidazol-4-one?
2-amino-3-[(2-bromophenyl)methyl]-5,5-diphenylimidazol-4-one has a molecular weight of 420.31 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-bromophenyl)methyl]-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 44530592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).