1-[4-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]imidazole

C16H11Cl3N2O — CID 21481647

IUPAC1-[4-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]imidazole
SMILESClc1ccc(-n2ccnc2)c(OCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H11Cl3N2O/c17-12-2-4-15(21-6-5-20-10-21)16(8-12)22-9-11-1-3-13(18)14(19)7-11/h1-8,10H,9H2
InChIKeyTWFNMJVJOMSYNY-UHFFFAOYSA-N
MW353.64 g/mol
LogP5.41
Rot. Bonds4

About 1-[4-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]imidazole

1-[4-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]imidazole (PubChem CID 21481647) has the molecular formula C16H11Cl3N2O and a molecular weight of 353.64 g/mol. Its IUPAC name is 1-[4-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]imidazole.

Molecular Properties

Compound Name1-[4-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]imidazole
PubChem CID21481647
Molecular FormulaC16H11Cl3N2O
Molecular Weight353.64 g/mol
Exact Mass351.99
IUPAC Name1-[4-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]imidazole
SMILESClc1ccc(-n2ccnc2)c(OCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H11Cl3N2O/c17-12-2-4-15(21-6-5-20-10-21)16(8-12)22-9-11-1-3-13(18)14(19)7-11/h1-8,10H,9H2
InChIKeyTWFNMJVJOMSYNY-UHFFFAOYSA-N
XLogP5.41
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine
CID 117295563
1-[2-chloro-4-(isocyanatomethyl)phenyl]imidazole
CID 117339560
1-[1-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylpropyl]imidazole
CID 21481581
5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoyl chloride
CID 46779756
[4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine
CID 63881091
2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229402
N-[(3,4-dichlorophenyl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 43710546
1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63499414
5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzenecarbothioamide
CID 20991923
5,8-di(imidazol-1-yl)quinoxaline
CID 132507181
1-[5-chloro-2-[(3-chlorophenyl)methyl]phenyl]imidazole
CID 152746844
1-[1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]-2-methylprop-1-enyl]imidazole
CID 3007501

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]imidazole?
The IUPAC name of 1-[4-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]imidazole (CID 21481647) is 1-[4-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]imidazole.
What is the SMILES notation for 1-[4-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]imidazole?
The canonical SMILES for 1-[4-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]imidazole is Clc1ccc(-n2ccnc2)c(OCc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-[4-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]imidazole?
The InChIKey is TWFNMJVJOMSYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2O/c17-12-2-4-15(21-6-5-20-10-21)16(8-12)22-9-11-1-3-13(18)14(19)7-11/h1-8,10H,9H2.
What are the key properties of 1-[4-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]imidazole?
1-[4-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]imidazole has a molecular weight of 353.64 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]imidazole is sourced from PubChem (CID 21481647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).