5-(2,6-dichlorophenyl)-4-phenyl-2-(1H-pyrrol-3-yl)-1H-imidazole

C19H13Cl2N3 — CID 152504378

IUPAC5-(2,6-dichlorophenyl)-4-phenyl-2-(1H-pyrrol-3-yl)-1H-imidazole
SMILESClc1cccc(Cl)c1-c1[nH]c(-c2cc[nH]c2)nc1-c1ccccc1
InChIInChI=1S/C19H13Cl2N3/c20-14-7-4-8-15(21)16(14)18-17(12-5-2-1-3-6-12)23-19(24-18)13-9-10-22-11-13/h1-11,22H,(H,23,24)
InChIKeyYEDKCAJVQQPXNE-UHFFFAOYSA-N
MW354.24 g/mol
LogP6.05
Rot. Bonds3

About 5-(2,6-dichlorophenyl)-4-phenyl-2-(1H-pyrrol-3-yl)-1H-imidazole

5-(2,6-dichlorophenyl)-4-phenyl-2-(1H-pyrrol-3-yl)-1H-imidazole (PubChem CID 152504378) has the molecular formula C19H13Cl2N3 and a molecular weight of 354.24 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-4-phenyl-2-(1H-pyrrol-3-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-4-phenyl-2-(1H-pyrrol-3-yl)-1H-imidazole
PubChem CID152504378
Molecular FormulaC19H13Cl2N3
Molecular Weight354.24 g/mol
Exact Mass353.05
IUPAC Name5-(2,6-dichlorophenyl)-4-phenyl-2-(1H-pyrrol-3-yl)-1H-imidazole
SMILESClc1cccc(Cl)c1-c1[nH]c(-c2cc[nH]c2)nc1-c1ccccc1
InChIInChI=1S/C19H13Cl2N3/c20-14-7-4-8-15(21)16(14)18-17(12-5-2-1-3-6-12)23-19(24-18)13-9-10-22-11-13/h1-11,22H,(H,23,24)
InChIKeyYEDKCAJVQQPXNE-UHFFFAOYSA-N
XLogP6.05
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.24
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(2,6-dichlorophenyl)-4-phenyl-2-(1H-pyrrol-3-yl)-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)-4-phenyl-2-(1H-pyrrol-3-yl)-1H-imidazole?
The IUPAC name of 5-(2,6-dichlorophenyl)-4-phenyl-2-(1H-pyrrol-3-yl)-1H-imidazole (CID 152504378) is 5-(2,6-dichlorophenyl)-4-phenyl-2-(1H-pyrrol-3-yl)-1H-imidazole.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-4-phenyl-2-(1H-pyrrol-3-yl)-1H-imidazole?
The canonical SMILES for 5-(2,6-dichlorophenyl)-4-phenyl-2-(1H-pyrrol-3-yl)-1H-imidazole is Clc1cccc(Cl)c1-c1[nH]c(-c2cc[nH]c2)nc1-c1ccccc1.
What is the InChIKey of 5-(2,6-dichlorophenyl)-4-phenyl-2-(1H-pyrrol-3-yl)-1H-imidazole?
The InChIKey is YEDKCAJVQQPXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3/c20-14-7-4-8-15(21)16(14)18-17(12-5-2-1-3-6-12)23-19(24-18)13-9-10-22-11-13/h1-11,22H,(H,23,24).
What are the key properties of 5-(2,6-dichlorophenyl)-4-phenyl-2-(1H-pyrrol-3-yl)-1H-imidazole?
5-(2,6-dichlorophenyl)-4-phenyl-2-(1H-pyrrol-3-yl)-1H-imidazole has a molecular weight of 354.24 g/mol, XLogP of 6.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)-4-phenyl-2-(1H-pyrrol-3-yl)-1H-imidazole is sourced from PubChem (CID 152504378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).