1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole

C19H17Cl3N2O — CID 170562609

IUPAC1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole
SMILESClc1cccc(OCCC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H17Cl3N2O/c20-15-2-1-3-17(10-15)25-9-6-14(12-24-8-7-23-13-24)18-5-4-16(21)11-19(18)22/h1-5,7-8,10-11,13-14H,6,9,12H2
InChIKeyORBPUMPDDCYCJU-UHFFFAOYSA-N
MW395.72 g/mol
LogP6.10
Rot. Bonds7

About 1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole

1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole (PubChem CID 170562609) has the molecular formula C19H17Cl3N2O and a molecular weight of 395.72 g/mol. Its IUPAC name is 1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole.

Molecular Properties

Compound Name1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole
PubChem CID170562609
Molecular FormulaC19H17Cl3N2O
Molecular Weight395.72 g/mol
Exact Mass394.04
IUPAC Name1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole
SMILESClc1cccc(OCCC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H17Cl3N2O/c20-15-2-1-3-17(10-15)25-9-6-14(12-24-8-7-23-13-24)18-5-4-16(21)11-19(18)22/h1-5,7-8,10-11,13-14H,6,9,12H2
InChIKeyORBPUMPDDCYCJU-UHFFFAOYSA-N
XLogP6.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.72
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dichlorophenyl)-4-(2-fluorophenoxy)butyl]imidazole
CID 170562599
1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole
CID 3006879
1-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole
CID 3006905
1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole
CID 21499632
1-[2-[3-(4-chlorophenoxy)propoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 3054320
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
CID 3760
O-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] carbamothioate
CID 140542063
1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole
CID 3054902
1-[2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
CID 3054932
1-[2-[4-(4-chlorophenoxy)butoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
CID 3054941
1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole
CID 54337740

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole?
The IUPAC name of 1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole (CID 170562609) is 1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole.
What is the SMILES notation for 1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole?
The canonical SMILES for 1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole is Clc1cccc(OCCC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole?
The InChIKey is ORBPUMPDDCYCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl3N2O/c20-15-2-1-3-17(10-15)25-9-6-14(12-24-8-7-23-13-24)18-5-4-16(21)11-19(18)22/h1-5,7-8,10-11,13-14H,6,9,12H2.
What are the key properties of 1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole?
1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole has a molecular weight of 395.72 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole is sourced from PubChem (CID 170562609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).