1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole

C18H15BrCl2N2 — CID 21499632

IUPAC1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole
SMILESClc1ccc(C(Cc2ccccc2Br)Cn2ccnc2)c(Cl)c1
InChIInChI=1S/C18H15BrCl2N2/c19-17-4-2-1-3-13(17)9-14(11-23-8-7-22-12-23)16-6-5-15(20)10-18(16)21/h1-8,10,12,14H,9,11H2
InChIKeyPAOWTPZNEPVBCI-UHFFFAOYSA-N
MW410.14 g/mol
LogP5.98
Rot. Bonds5

About 1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole

1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole (PubChem CID 21499632) has the molecular formula C18H15BrCl2N2 and a molecular weight of 410.14 g/mol. Its IUPAC name is 1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole
PubChem CID21499632
Molecular FormulaC18H15BrCl2N2
Molecular Weight410.14 g/mol
Exact Mass407.98
IUPAC Name1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole
SMILESClc1ccc(C(Cc2ccccc2Br)Cn2ccnc2)c(Cl)c1
InChIInChI=1S/C18H15BrCl2N2/c19-17-4-2-1-3-13(17)9-14(11-23-8-7-22-12-23)16-6-5-15(20)10-18(16)21/h1-8,10,12,14H,9,11H2
InChIKeyPAOWTPZNEPVBCI-UHFFFAOYSA-N
XLogP5.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.14
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole
CID 3006905
1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole
CID 170562609
1-[2-(2,4-dichlorophenyl)-4-(2-fluorophenoxy)butyl]imidazole
CID 170562599
1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole
CID 3006879
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
1-[3-(2-chlorophenyl)-2-phenylpropyl]imidazole
CID 71393269
1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole
CID 21402411
1-[2-(2,4-dichlorophenyl)-2-prop-2-ynylsulfanylethyl]imidazole
CID 21402168
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole
CID 3054902
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
CID 3760
2-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]isoindole-1,3-dione
CID 10949425

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole?
The IUPAC name of 1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole (CID 21499632) is 1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole.
What is the SMILES notation for 1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole?
The canonical SMILES for 1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole is Clc1ccc(C(Cc2ccccc2Br)Cn2ccnc2)c(Cl)c1.
What is the InChIKey of 1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole?
The InChIKey is PAOWTPZNEPVBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrCl2N2/c19-17-4-2-1-3-13(17)9-14(11-23-8-7-22-12-23)16-6-5-15(20)10-18(16)21/h1-8,10,12,14H,9,11H2.
What are the key properties of 1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole?
1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole has a molecular weight of 410.14 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole is sourced from PubChem (CID 21499632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).