1-[1-[5-chloro-2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole

C16H12Cl2N2OS — CID 3007520

IUPAC1-[1-[5-chloro-2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole
SMILESC=C(c1cc(Cl)ccc1OCc1ccsc1Cl)n1ccnc1
InChIInChI=1S/C16H12Cl2N2OS/c1-11(20-6-5-19-10-20)14-8-13(17)2-3-15(14)21-9-12-4-7-22-16(12)18/h2-8,10H,1,9H2
InChIKeyQMFKLDWQHJVRJZ-UHFFFAOYSA-N
MW351.26 g/mol
LogP5.35
Rot. Bonds5

About 1-[1-[5-chloro-2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole

1-[1-[5-chloro-2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole (PubChem CID 3007520) has the molecular formula C16H12Cl2N2OS and a molecular weight of 351.26 g/mol. Its IUPAC name is 1-[1-[5-chloro-2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole.

Molecular Properties

Compound Name1-[1-[5-chloro-2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole
PubChem CID3007520
Molecular FormulaC16H12Cl2N2OS
Molecular Weight351.26 g/mol
Exact Mass350.00
IUPAC Name1-[1-[5-chloro-2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole
SMILESC=C(c1cc(Cl)ccc1OCc1ccsc1Cl)n1ccnc1
InChIInChI=1S/C16H12Cl2N2OS/c1-11(20-6-5-19-10-20)14-8-13(17)2-3-15(14)21-9-12-4-7-22-16(12)18/h2-8,10H,1,9H2
InChIKeyQMFKLDWQHJVRJZ-UHFFFAOYSA-N
XLogP5.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.26
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-chloro-2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole?
The IUPAC name of 1-[1-[5-chloro-2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole (CID 3007520) is 1-[1-[5-chloro-2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole.
What is the SMILES notation for 1-[1-[5-chloro-2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole?
The canonical SMILES for 1-[1-[5-chloro-2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole is C=C(c1cc(Cl)ccc1OCc1ccsc1Cl)n1ccnc1.
What is the InChIKey of 1-[1-[5-chloro-2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole?
The InChIKey is QMFKLDWQHJVRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2OS/c1-11(20-6-5-19-10-20)14-8-13(17)2-3-15(14)21-9-12-4-7-22-16(12)18/h2-8,10H,1,9H2.
What are the key properties of 1-[1-[5-chloro-2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole?
1-[1-[5-chloro-2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole has a molecular weight of 351.26 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-chloro-2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole is sourced from PubChem (CID 3007520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).