2-(2-amino-3-methyl-4-phenylimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone

C24H22N3O+ — CID 4687253

IUPAC2-(2-amino-3-methyl-4-phenylimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone
SMILESCn1c(-c2ccccc2)c[n+](CC(=O)c2ccc(-c3ccccc3)cc2)c1N
InChIInChI=1S/C24H21N3O/c1-26-22(20-10-6-3-7-11-20)16-27(24(26)25)17-23(28)21-14-12-19(13-15-21)18-8-4-2-5-9-18/h2-16,25H,17H2,1H3/p+1
InChIKeyPVUUAPADUNZJDB-UHFFFAOYSA-O
MW368.46 g/mol
LogP4.11
Rot. Bonds5

About 2-(2-amino-3-methyl-4-phenylimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone

2-(2-amino-3-methyl-4-phenylimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone (PubChem CID 4687253) has the molecular formula C24H22N3O+ and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-(2-amino-3-methyl-4-phenylimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-amino-3-methyl-4-phenylimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone
PubChem CID4687253
Molecular FormulaC24H22N3O+
Molecular Weight368.46 g/mol
Exact Mass368.18
IUPAC Name2-(2-amino-3-methyl-4-phenylimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone
SMILESCn1c(-c2ccccc2)c[n+](CC(=O)c2ccc(-c3ccccc3)cc2)c1N
InChIInChI=1S/C24H21N3O/c1-26-22(20-10-6-3-7-11-20)16-27(24(26)25)17-23(28)21-14-12-19(13-15-21)18-8-4-2-5-9-18/h2-16,25H,17H2,1H3/p+1
InChIKeyPVUUAPADUNZJDB-UHFFFAOYSA-O
XLogP4.11
TPSA51.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-3-methyl-4-(4-phenylphenyl)imidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone
CID 4242965
2-[2-amino-3-methyl-4-(4-phenylphenyl)imidazol-1-ium-1-yl]-1-(3,4-dichlorophenyl)ethanone
CID 3604583
2-[2-amino-4-(4-bromophenyl)-3-methylimidazol-1-ium-1-yl]-1-(4-bromophenyl)ethanone
CID 4209454
2-[2-amino-3-methyl-4-(4-phenylphenyl)imidazol-1-ium-1-yl]-1-(3-bromophenyl)ethanone bromide
CID 163327645
2-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methylimidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide
CID 163327664
2-[2-amino-4-(3-methoxyphenyl)-3-methylimidazol-1-ium-1-yl]-1-phenylethanone
CID 5098935
2-[2-amino-4-(3-chlorophenyl)-3-methylimidazol-1-ium-1-yl]-1-(4-methylphenyl)ethanone bromide
CID 163327310
2-[2-amino-4-(4-methoxyphenyl)-3-methylimidazol-1-ium-1-yl]-1-(4-chlorophenyl)ethanone bromide
CID 163327689
2-[2-amino-3-methyl-4-(3-nitrophenyl)imidazol-1-ium-1-yl]-1-(4-methylphenyl)ethanone
CID 4035735
2-[2-amino-4-(3,4-dichlorophenyl)-3-methylimidazol-1-ium-1-yl]-1-(4-bromophenyl)ethanone
CID 3981667
2-[2-amino-4-(3-bromophenyl)-3-methylimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4535939
2-[2-amino-4-(3-chlorophenyl)-3-methylimidazol-1-ium-1-yl]-1-(3,4-dichlorophenyl)ethanone
CID 4280283

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methyl-4-phenylimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone?
The IUPAC name of 2-(2-amino-3-methyl-4-phenylimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone (CID 4687253) is 2-(2-amino-3-methyl-4-phenylimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone.
What is the SMILES notation for 2-(2-amino-3-methyl-4-phenylimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone?
The canonical SMILES for 2-(2-amino-3-methyl-4-phenylimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone is Cn1c(-c2ccccc2)c[n+](CC(=O)c2ccc(-c3ccccc3)cc2)c1N.
What is the InChIKey of 2-(2-amino-3-methyl-4-phenylimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone?
The InChIKey is PVUUAPADUNZJDB-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H21N3O/c1-26-22(20-10-6-3-7-11-20)16-27(24(26)25)17-23(28)21-14-12-19(13-15-21)18-8-4-2-5-9-18/h2-16,25H,17H2,1H3/p+1.
What are the key properties of 2-(2-amino-3-methyl-4-phenylimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone?
2-(2-amino-3-methyl-4-phenylimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone has a molecular weight of 368.46 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methyl-4-phenylimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone is sourced from PubChem (CID 4687253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).