1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone

C10H9ClN2OS — CID 115784458

IUPAC1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H9ClN2OS/c1-13-5-4-12-10(13)6-7(14)8-2-3-9(11)15-8/h2-5H,6H2,1H3
InChIKeyRFCJWPFKDJJCBE-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.56
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone

1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone (PubChem CID 115784458) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
PubChem CID115784458
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H9ClN2OS/c1-13-5-4-12-10(13)6-7(14)8-2-3-9(11)15-8/h2-5H,6H2,1H3
InChIKeyRFCJWPFKDJJCBE-UHFFFAOYSA-N
XLogP2.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784791
1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 112731562
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethanone
CID 114979264
1-(5-chlorothiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone
CID 114981907
1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784448
2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone
CID 112731558
1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107063130
1-(5-chlorothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063611
1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 107996510
2-(1-methylimidazol-2-yl)-1-pyridazin-4-ylethanone
CID 105116274
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784450
4-(5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 42937336

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone (CID 115784458) is 1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone is Cn1ccnc1CC(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone?
The InChIKey is RFCJWPFKDJJCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-13-5-4-12-10(13)6-7(14)8-2-3-9(11)15-8/h2-5H,6H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone?
1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone has a molecular weight of 240.72 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 115784458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).