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

C16H13ClN2OS — CID 3007522

IUPAC1-[1-[2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole
SMILESC=C(c1ccccc1OCc1ccsc1Cl)n1ccnc1
InChIInChI=1S/C16H13ClN2OS/c1-12(19-8-7-18-11-19)14-4-2-3-5-15(14)20-10-13-6-9-21-16(13)17/h2-9,11H,1,10H2
InChIKeyOHTXKJYMWDCQOL-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.70
Rot. Bonds5

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

1-[1-[2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole (PubChem CID 3007522) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 1-[1-[2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole.

Molecular Properties

Compound Name1-[1-[2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole
PubChem CID3007522
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name1-[1-[2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole
SMILESC=C(c1ccccc1OCc1ccsc1Cl)n1ccnc1
InChIInChI=1S/C16H13ClN2OS/c1-12(19-8-7-18-11-19)14-4-2-3-5-15(14)20-10-13-6-9-21-16(13)17/h2-9,11H,1,10H2
InChIKeyOHTXKJYMWDCQOL-UHFFFAOYSA-N
XLogP4.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole?
The IUPAC name of 1-[1-[2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole (CID 3007522) is 1-[1-[2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole.
What is the SMILES notation for 1-[1-[2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole?
The canonical SMILES for 1-[1-[2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole is C=C(c1ccccc1OCc1ccsc1Cl)n1ccnc1.
What is the InChIKey of 1-[1-[2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole?
The InChIKey is OHTXKJYMWDCQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-12(19-8-7-18-11-19)14-4-2-3-5-15(14)20-10-13-6-9-21-16(13)17/h2-9,11H,1,10H2.
What are the key properties of 1-[1-[2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole?
1-[1-[2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole has a molecular weight of 316.81 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(2-chlorothiophen-3-yl)methoxy]phenyl]ethenyl]imidazole is sourced from PubChem (CID 3007522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).