2-(4-imidazol-1-ylphenyl)-4-methylisoindole-1,3-dione

C18H13N3O2 — CID 53392519

IUPAC2-(4-imidazol-1-ylphenyl)-4-methylisoindole-1,3-dione
SMILESCc1cccc2c1C(=O)N(c1ccc(-n3ccnc3)cc1)C2=O
InChIInChI=1S/C18H13N3O2/c1-12-3-2-4-15-16(12)18(23)21(17(15)22)14-7-5-13(6-8-14)20-10-9-19-11-20/h2-11H,1H3
InChIKeyFPFMOPNTWODOHU-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.98
Rot. Bonds2

About 2-(4-imidazol-1-ylphenyl)-4-methylisoindole-1,3-dione

2-(4-imidazol-1-ylphenyl)-4-methylisoindole-1,3-dione (PubChem CID 53392519) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(4-imidazol-1-ylphenyl)-4-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-imidazol-1-ylphenyl)-4-methylisoindole-1,3-dione
PubChem CID53392519
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name2-(4-imidazol-1-ylphenyl)-4-methylisoindole-1,3-dione
SMILESCc1cccc2c1C(=O)N(c1ccc(-n3ccnc3)cc1)C2=O
InChIInChI=1S/C18H13N3O2/c1-12-3-2-4-15-16(12)18(23)21(17(15)22)14-7-5-13(6-8-14)20-10-9-19-11-20/h2-11H,1H3
InChIKeyFPFMOPNTWODOHU-UHFFFAOYSA-N
XLogP2.98
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methyl-1,3-dioxoisoindol-2-yl)benzonitrile
CID 25113145
11,14,22,26-tetrachloro-7,18-bis(4-imidazol-1-ylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
CID 139252101
4-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 129087168
(4Z)-4-[(4-imidazol-1-ylphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 17491629
N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride
CID 23044294
2-but-1-enyl-4-(4-imidazol-1-ylphenoxy)isoindole-1,3-dione
CID 67599348
4-imidazol-1-ylaniline;trihydrochloride
CID 68693958
4-amino-2-(4-bromo-3-methylphenyl)isoindole-1,3-dione
CID 23825763
4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione
CID 3092594
2-hydroxy-4-methylisoindole-1,3-dione
CID 15893222
N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide
CID 3768573
8-(4-imidazol-1-ylphenyl)-7-methylimidazo[1,2-a]pyridine
CID 23316951

Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazol-1-ylphenyl)-4-methylisoindole-1,3-dione?
The IUPAC name of 2-(4-imidazol-1-ylphenyl)-4-methylisoindole-1,3-dione (CID 53392519) is 2-(4-imidazol-1-ylphenyl)-4-methylisoindole-1,3-dione.
What is the SMILES notation for 2-(4-imidazol-1-ylphenyl)-4-methylisoindole-1,3-dione?
The canonical SMILES for 2-(4-imidazol-1-ylphenyl)-4-methylisoindole-1,3-dione is Cc1cccc2c1C(=O)N(c1ccc(-n3ccnc3)cc1)C2=O.
What is the InChIKey of 2-(4-imidazol-1-ylphenyl)-4-methylisoindole-1,3-dione?
The InChIKey is FPFMOPNTWODOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-12-3-2-4-15-16(12)18(23)21(17(15)22)14-7-5-13(6-8-14)20-10-9-19-11-20/h2-11H,1H3.
What are the key properties of 2-(4-imidazol-1-ylphenyl)-4-methylisoindole-1,3-dione?
2-(4-imidazol-1-ylphenyl)-4-methylisoindole-1,3-dione has a molecular weight of 303.32 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazol-1-ylphenyl)-4-methylisoindole-1,3-dione is sourced from PubChem (CID 53392519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).