1-[[4-(4-chlorophenyl)-1-propylpyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole

C23H20Cl3N3 — CID 6481250

IUPAC1-[[4-(4-chlorophenyl)-1-propylpyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole
SMILESCCCn1cc(-c2ccc(Cl)cc2)c(C(c2ccc(Cl)cc2Cl)n2ccnc2)c1
InChIInChI=1S/C23H20Cl3N3/c1-2-10-28-13-20(16-3-5-17(24)6-4-16)21(14-28)23(29-11-9-27-15-29)19-8-7-18(25)12-22(19)26/h3-9,11-15,23H,2,10H2,1H3
InChIKeyGOIJKKQZIHTWJK-UHFFFAOYSA-N
MW444.79 g/mol
LogP7.36
Rot. Bonds6

About 1-[[4-(4-chlorophenyl)-1-propylpyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole

1-[[4-(4-chlorophenyl)-1-propylpyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole (PubChem CID 6481250) has the molecular formula C23H20Cl3N3 and a molecular weight of 444.79 g/mol. Its IUPAC name is 1-[[4-(4-chlorophenyl)-1-propylpyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[[4-(4-chlorophenyl)-1-propylpyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole
PubChem CID6481250
Molecular FormulaC23H20Cl3N3
Molecular Weight444.79 g/mol
Exact Mass443.07
IUPAC Name1-[[4-(4-chlorophenyl)-1-propylpyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole
SMILESCCCn1cc(-c2ccc(Cl)cc2)c(C(c2ccc(Cl)cc2Cl)n2ccnc2)c1
InChIInChI=1S/C23H20Cl3N3/c1-2-10-28-13-20(16-3-5-17(24)6-4-16)21(14-28)23(29-11-9-27-15-29)19-8-7-18(25)12-22(19)26/h3-9,11-15,23H,2,10H2,1H3
InChIKeyGOIJKKQZIHTWJK-UHFFFAOYSA-N
XLogP7.36
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.79
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-chlorophenyl)-1-propylpyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole?
The IUPAC name of 1-[[4-(4-chlorophenyl)-1-propylpyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole (CID 6481250) is 1-[[4-(4-chlorophenyl)-1-propylpyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole.
What is the SMILES notation for 1-[[4-(4-chlorophenyl)-1-propylpyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole?
The canonical SMILES for 1-[[4-(4-chlorophenyl)-1-propylpyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole is CCCn1cc(-c2ccc(Cl)cc2)c(C(c2ccc(Cl)cc2Cl)n2ccnc2)c1.
What is the InChIKey of 1-[[4-(4-chlorophenyl)-1-propylpyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole?
The InChIKey is GOIJKKQZIHTWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl3N3/c1-2-10-28-13-20(16-3-5-17(24)6-4-16)21(14-28)23(29-11-9-27-15-29)19-8-7-18(25)12-22(19)26/h3-9,11-15,23H,2,10H2,1H3.
What are the key properties of 1-[[4-(4-chlorophenyl)-1-propylpyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole?
1-[[4-(4-chlorophenyl)-1-propylpyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole has a molecular weight of 444.79 g/mol, XLogP of 7.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-chlorophenyl)-1-propylpyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole is sourced from PubChem (CID 6481250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).