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'}

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Related Compounds

4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-3-yl)-1H-imidazole
CID 135968526
6-[2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine-2,3-diamine
CID 68866740
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
3-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]pyridine
CID 150000034
2-[5-(3-chlorophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole
CID 3114182
4-[4-(4-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine
CID 10664282
2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole
CID 135398995
5-(4-chlorophenyl)-2-naphthalen-2-yl-4-phenyl-1H-imidazole
CID 138455379
3-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-4-yl]pyridine
CID 139780407
5-(1-butylimidazol-4-yl)-2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazole
CID 172825375
2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole;phosphorosobenzene
CID 174850878

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).