1-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole

C19H17Cl3N2 — CID 3006905

IUPAC1-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole
SMILESClc1ccc(C(CCc2ccccc2Cl)Cn2ccnc2)c(Cl)c1
InChIInChI=1S/C19H17Cl3N2/c20-16-7-8-17(19(22)11-16)15(12-24-10-9-23-13-24)6-5-14-3-1-2-4-18(14)21/h1-4,7-11,13,15H,5-6,12H2
InChIKeySBFGKGMTNIHBJF-UHFFFAOYSA-N
MW379.72 g/mol
LogP6.26
Rot. Bonds6

About 1-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole

1-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole (PubChem CID 3006905) has the molecular formula C19H17Cl3N2 and a molecular weight of 379.72 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole
PubChem CID3006905
Molecular FormulaC19H17Cl3N2
Molecular Weight379.72 g/mol
Exact Mass378.05
IUPAC Name1-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole
SMILESClc1ccc(C(CCc2ccccc2Cl)Cn2ccnc2)c(Cl)c1
InChIInChI=1S/C19H17Cl3N2/c20-16-7-8-17(19(22)11-16)15(12-24-10-9-23-13-24)6-5-14-3-1-2-4-18(14)21/h1-4,7-11,13,15H,5-6,12H2
InChIKeySBFGKGMTNIHBJF-UHFFFAOYSA-N
XLogP6.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.72
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole
CID 21499632
1-[2-(2,4-dichlorophenyl)-4-(2-fluorophenoxy)butyl]imidazole
CID 170562599
1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole
CID 170562609
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-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
CID 3760
1-[4-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)butyl]imidazole
CID 70506825
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
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-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole?
The IUPAC name of 1-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole (CID 3006905) is 1-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole.
What is the SMILES notation for 1-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole?
The canonical SMILES for 1-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole is Clc1ccc(C(CCc2ccccc2Cl)Cn2ccnc2)c(Cl)c1.
What is the InChIKey of 1-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole?
The InChIKey is SBFGKGMTNIHBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl3N2/c20-16-7-8-17(19(22)11-16)15(12-24-10-9-23-13-24)6-5-14-3-1-2-4-18(14)21/h1-4,7-11,13,15H,5-6,12H2.
What are the key properties of 1-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole?
1-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole has a molecular weight of 379.72 g/mol, XLogP of 6.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole is sourced from PubChem (CID 3006905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).