(4-chlorophenyl)-(1-ethenylimidazol-2-yl)-thiophen-2-ylmethanol

C16H13ClN2OS — CID 171986169

IUPAC(4-chlorophenyl)-(1-ethenylimidazol-2-yl)-thiophen-2-ylmethanol
SMILESC=Cn1ccnc1C(O)(c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C16H13ClN2OS/c1-2-19-10-9-18-15(19)16(20,14-4-3-11-21-14)12-5-7-13(17)8-6-12/h2-11,20H,1H2
InChIKeyHWYSTTFFAHOGGU-UHFFFAOYSA-N
MW316.81 g/mol
LogP3.98
Rot. Bonds4

About (4-chlorophenyl)-(1-ethenylimidazol-2-yl)-thiophen-2-ylmethanol

(4-chlorophenyl)-(1-ethenylimidazol-2-yl)-thiophen-2-ylmethanol (PubChem CID 171986169) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is (4-chlorophenyl)-(1-ethenylimidazol-2-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(1-ethenylimidazol-2-yl)-thiophen-2-ylmethanol
PubChem CID171986169
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name(4-chlorophenyl)-(1-ethenylimidazol-2-yl)-thiophen-2-ylmethanol
SMILESC=Cn1ccnc1C(O)(c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C16H13ClN2OS/c1-2-19-10-9-18-15(19)16(20,14-4-3-11-21-14)12-5-7-13(17)8-6-12/h2-11,20H,1H2
InChIKeyHWYSTTFFAHOGGU-UHFFFAOYSA-N
XLogP3.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1-ethenylimidazol-2-yl)-thiophen-2-ylmethanol?
The IUPAC name of (4-chlorophenyl)-(1-ethenylimidazol-2-yl)-thiophen-2-ylmethanol (CID 171986169) is (4-chlorophenyl)-(1-ethenylimidazol-2-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-(1-ethenylimidazol-2-yl)-thiophen-2-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-(1-ethenylimidazol-2-yl)-thiophen-2-ylmethanol is C=Cn1ccnc1C(O)(c1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of (4-chlorophenyl)-(1-ethenylimidazol-2-yl)-thiophen-2-ylmethanol?
The InChIKey is HWYSTTFFAHOGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-2-19-10-9-18-15(19)16(20,14-4-3-11-21-14)12-5-7-13(17)8-6-12/h2-11,20H,1H2.
What are the key properties of (4-chlorophenyl)-(1-ethenylimidazol-2-yl)-thiophen-2-ylmethanol?
(4-chlorophenyl)-(1-ethenylimidazol-2-yl)-thiophen-2-ylmethanol has a molecular weight of 316.81 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1-ethenylimidazol-2-yl)-thiophen-2-ylmethanol is sourced from PubChem (CID 171986169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).