2-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-phenyl-1H-imidazole

C23H18N2O3 — CID 1239374

IUPAC2-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-phenyl-1H-imidazole
SMILESCOc1ccc(-c2[nH]c(-c3ccc4c(c3)OCO4)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H18N2O3/c1-26-18-10-7-16(8-11-18)22-21(15-5-3-2-4-6-15)24-23(25-22)17-9-12-19-20(13-17)28-14-27-19/h2-13H,14H2,1H3,(H,24,25)
InChIKeyFJTJKUJYTOHHRS-UHFFFAOYSA-N
MW370.41 g/mol
LogP5.15
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-phenyl-1H-imidazole

2-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-phenyl-1H-imidazole (PubChem CID 1239374) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-phenyl-1H-imidazole
PubChem CID1239374
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name2-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-phenyl-1H-imidazole
SMILESCOc1ccc(-c2[nH]c(-c3ccc4c(c3)OCO4)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H18N2O3/c1-26-18-10-7-16(8-11-18)22-21(15-5-3-2-4-6-15)24-23(25-22)17-9-12-19-20(13-17)28-14-27-19/h2-13H,14H2,1H3,(H,24,25)
InChIKeyFJTJKUJYTOHHRS-UHFFFAOYSA-N
XLogP5.15
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.41
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-phenyl-1H-imidazole?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-phenyl-1H-imidazole (CID 1239374) is 2-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-phenyl-1H-imidazole.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-phenyl-1H-imidazole?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-phenyl-1H-imidazole is COc1ccc(-c2[nH]c(-c3ccc4c(c3)OCO4)nc2-c2ccccc2)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-phenyl-1H-imidazole?
The InChIKey is FJTJKUJYTOHHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-26-18-10-7-16(8-11-18)22-21(15-5-3-2-4-6-15)24-23(25-22)17-9-12-19-20(13-17)28-14-27-19/h2-13H,14H2,1H3,(H,24,25).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-phenyl-1H-imidazole?
2-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-phenyl-1H-imidazole has a molecular weight of 370.41 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-phenyl-1H-imidazole is sourced from PubChem (CID 1239374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).