1-[(2,4-dichlorophenyl)-[4-(4-phenylphenyl)-1H-pyrrol-3-yl]methyl]imidazole

C26H19Cl2N3 — CID 6481286

IUPAC1-[(2,4-dichlorophenyl)-[4-(4-phenylphenyl)-1H-pyrrol-3-yl]methyl]imidazole
SMILESClc1ccc(C(c2c[nH]cc2-c2ccc(-c3ccccc3)cc2)n2ccnc2)c(Cl)c1
InChIInChI=1S/C26H19Cl2N3/c27-21-10-11-22(25(28)14-21)26(31-13-12-29-17-31)24-16-30-15-23(24)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-17,26,30H
InChIKeyGGBXYXPRVQOMBV-UHFFFAOYSA-N
MW444.37 g/mol
LogP7.49
Rot. Bonds5

About 1-[(2,4-dichlorophenyl)-[4-(4-phenylphenyl)-1H-pyrrol-3-yl]methyl]imidazole

1-[(2,4-dichlorophenyl)-[4-(4-phenylphenyl)-1H-pyrrol-3-yl]methyl]imidazole (PubChem CID 6481286) has the molecular formula C26H19Cl2N3 and a molecular weight of 444.37 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)-[4-(4-phenylphenyl)-1H-pyrrol-3-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)-[4-(4-phenylphenyl)-1H-pyrrol-3-yl]methyl]imidazole
PubChem CID6481286
Molecular FormulaC26H19Cl2N3
Molecular Weight444.37 g/mol
Exact Mass443.10
IUPAC Name1-[(2,4-dichlorophenyl)-[4-(4-phenylphenyl)-1H-pyrrol-3-yl]methyl]imidazole
SMILESClc1ccc(C(c2c[nH]cc2-c2ccc(-c3ccccc3)cc2)n2ccnc2)c(Cl)c1
InChIInChI=1S/C26H19Cl2N3/c27-21-10-11-22(25(28)14-21)26(31-13-12-29-17-31)24-16-30-15-23(24)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-17,26,30H
InChIKeyGGBXYXPRVQOMBV-UHFFFAOYSA-N
XLogP7.49
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.37
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)-[4-(4-phenylphenyl)-1H-pyrrol-3-yl]methyl]imidazole?
The IUPAC name of 1-[(2,4-dichlorophenyl)-[4-(4-phenylphenyl)-1H-pyrrol-3-yl]methyl]imidazole (CID 6481286) is 1-[(2,4-dichlorophenyl)-[4-(4-phenylphenyl)-1H-pyrrol-3-yl]methyl]imidazole.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)-[4-(4-phenylphenyl)-1H-pyrrol-3-yl]methyl]imidazole?
The canonical SMILES for 1-[(2,4-dichlorophenyl)-[4-(4-phenylphenyl)-1H-pyrrol-3-yl]methyl]imidazole is Clc1ccc(C(c2c[nH]cc2-c2ccc(-c3ccccc3)cc2)n2ccnc2)c(Cl)c1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)-[4-(4-phenylphenyl)-1H-pyrrol-3-yl]methyl]imidazole?
The InChIKey is GGBXYXPRVQOMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2N3/c27-21-10-11-22(25(28)14-21)26(31-13-12-29-17-31)24-16-30-15-23(24)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-17,26,30H.
What are the key properties of 1-[(2,4-dichlorophenyl)-[4-(4-phenylphenyl)-1H-pyrrol-3-yl]methyl]imidazole?
1-[(2,4-dichlorophenyl)-[4-(4-phenylphenyl)-1H-pyrrol-3-yl]methyl]imidazole has a molecular weight of 444.37 g/mol, XLogP of 7.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)-[4-(4-phenylphenyl)-1H-pyrrol-3-yl]methyl]imidazole is sourced from PubChem (CID 6481286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).