1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethanone

C9H7ClN2OS — CID 12841537

IUPAC1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)c1ccc(Cl)s1
InChIInChI=1S/C9H7ClN2OS/c10-9-2-1-8(14-9)7(13)5-12-4-3-11-6-12/h1-4,6H,5H2
InChIKeyGPWSYLSQKVUENC-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.48
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethanone

1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethanone (PubChem CID 12841537) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethanone
PubChem CID12841537
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC Name1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)c1ccc(Cl)s1
InChIInChI=1S/C9H7ClN2OS/c10-9-2-1-8(14-9)7(13)5-12-4-3-11-6-12/h1-4,6H,5H2
InChIKeyGPWSYLSQKVUENC-UHFFFAOYSA-N
XLogP2.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide
CID 47143117
2-imidazol-1-yl-1-thiophen-2-ylethanone
CID 14264751
N-[(E)-[1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethylidene]amino]aniline
CID 16656662
2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanone
CID 14988698
2-imidazol-1-yl-1-pyridin-3-ylethanone
CID 70494424
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 60700955
1-(5-chlorothiophen-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 43228277
1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784458
1-(3-chlorophenyl)-2-imidazol-1-ylethanone;nitric acid
CID 117068688
1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone
CID 57320594
5-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one
CID 166162773
4-(5-chlorothiophen-2-yl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-oxobutanamide
CID 46653852

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethanone (CID 12841537) is 1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethanone is O=C(Cn1ccnc1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethanone?
The InChIKey is GPWSYLSQKVUENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c10-9-2-1-8(14-9)7(13)5-12-4-3-11-6-12/h1-4,6H,5H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethanone?
1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethanone has a molecular weight of 226.69 g/mol, XLogP of 2.48, 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-imidazol-1-ylethanone is sourced from PubChem (CID 12841537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).