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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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).