3-(5-chlorothiophen-2-yl)-1-(4-imidazol-1-ylphenyl)propan-1-one

C16H13ClN2OS — CID 134816195

IUPAC3-(5-chlorothiophen-2-yl)-1-(4-imidazol-1-ylphenyl)propan-1-one
SMILESO=C(CCc1ccc(Cl)s1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H13ClN2OS/c17-16-8-6-14(21-16)5-7-15(20)12-1-3-13(4-2-12)19-10-9-18-11-19/h1-4,6,8-11H,5,7H2
InChIKeyHWXFICQXLJYWMH-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.40
Rot. Bonds5

About 3-(5-chlorothiophen-2-yl)-1-(4-imidazol-1-ylphenyl)propan-1-one

3-(5-chlorothiophen-2-yl)-1-(4-imidazol-1-ylphenyl)propan-1-one (PubChem CID 134816195) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-1-(4-imidazol-1-ylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-1-(4-imidazol-1-ylphenyl)propan-1-one
PubChem CID134816195
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name3-(5-chlorothiophen-2-yl)-1-(4-imidazol-1-ylphenyl)propan-1-one
SMILESO=C(CCc1ccc(Cl)s1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H13ClN2OS/c17-16-8-6-14(21-16)5-7-15(20)12-1-3-13(4-2-12)19-10-9-18-11-19/h1-4,6,8-11H,5,7H2
InChIKeyHWXFICQXLJYWMH-UHFFFAOYSA-N
XLogP4.40
TPSA34.89 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 ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-1-(4-imidazol-1-ylphenyl)propan-1-one?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-1-(4-imidazol-1-ylphenyl)propan-1-one (CID 134816195) is 3-(5-chlorothiophen-2-yl)-1-(4-imidazol-1-ylphenyl)propan-1-one.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-1-(4-imidazol-1-ylphenyl)propan-1-one?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-1-(4-imidazol-1-ylphenyl)propan-1-one is O=C(CCc1ccc(Cl)s1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-1-(4-imidazol-1-ylphenyl)propan-1-one?
The InChIKey is HWXFICQXLJYWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c17-16-8-6-14(21-16)5-7-15(20)12-1-3-13(4-2-12)19-10-9-18-11-19/h1-4,6,8-11H,5,7H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-1-(4-imidazol-1-ylphenyl)propan-1-one?
3-(5-chlorothiophen-2-yl)-1-(4-imidazol-1-ylphenyl)propan-1-one has a molecular weight of 316.81 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-1-(4-imidazol-1-ylphenyl)propan-1-one is sourced from PubChem (CID 134816195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).