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

C24H17Cl3N4 — CID 155515175

IUPAC1-[[4-(4-chloro-2-pyrrol-1-ylphenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole
SMILESClc1ccc(C(c2c[nH]cc2-c2ccc(Cl)cc2-n2cccc2)n2ccnc2)c(Cl)c1
InChIInChI=1S/C24H17Cl3N4/c25-16-4-6-19(22(27)11-16)24(31-10-7-28-15-31)21-14-29-13-20(21)18-5-3-17(26)12-23(18)30-8-1-2-9-30/h1-15,24,29H
InChIKeyFZTSFWLIYDKXEK-UHFFFAOYSA-N
MW467.79 g/mol
LogP7.27
Rot. Bonds5

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

1-[[4-(4-chloro-2-pyrrol-1-ylphenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole (PubChem CID 155515175) has the molecular formula C24H17Cl3N4 and a molecular weight of 467.79 g/mol. Its IUPAC name is 1-[[4-(4-chloro-2-pyrrol-1-ylphenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[[4-(4-chloro-2-pyrrol-1-ylphenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole
PubChem CID155515175
Molecular FormulaC24H17Cl3N4
Molecular Weight467.79 g/mol
Exact Mass466.05
IUPAC Name1-[[4-(4-chloro-2-pyrrol-1-ylphenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole
SMILESClc1ccc(C(c2c[nH]cc2-c2ccc(Cl)cc2-n2cccc2)n2ccnc2)c(Cl)c1
InChIInChI=1S/C24H17Cl3N4/c25-16-4-6-19(22(27)11-16)24(31-10-7-28-15-31)21-14-29-13-20(21)18-5-3-17(26)12-23(18)30-8-1-2-9-30/h1-15,24,29H
InChIKeyFZTSFWLIYDKXEK-UHFFFAOYSA-N
XLogP7.27
TPSA38.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.79
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-chloro-2-pyrrol-1-ylphenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole?
The IUPAC name of 1-[[4-(4-chloro-2-pyrrol-1-ylphenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole (CID 155515175) is 1-[[4-(4-chloro-2-pyrrol-1-ylphenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole.
What is the SMILES notation for 1-[[4-(4-chloro-2-pyrrol-1-ylphenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole?
The canonical SMILES for 1-[[4-(4-chloro-2-pyrrol-1-ylphenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole is Clc1ccc(C(c2c[nH]cc2-c2ccc(Cl)cc2-n2cccc2)n2ccnc2)c(Cl)c1.
What is the InChIKey of 1-[[4-(4-chloro-2-pyrrol-1-ylphenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole?
The InChIKey is FZTSFWLIYDKXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl3N4/c25-16-4-6-19(22(27)11-16)24(31-10-7-28-15-31)21-14-29-13-20(21)18-5-3-17(26)12-23(18)30-8-1-2-9-30/h1-15,24,29H.
What are the key properties of 1-[[4-(4-chloro-2-pyrrol-1-ylphenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole?
1-[[4-(4-chloro-2-pyrrol-1-ylphenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole has a molecular weight of 467.79 g/mol, XLogP of 7.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-chloro-2-pyrrol-1-ylphenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole is sourced from PubChem (CID 155515175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).