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

C12H13ClN2OS — CID 115784791

IUPAC1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H13ClN2OS/c1-2-6-15-7-5-14-12(15)8-9(16)10-3-4-11(13)17-10/h3-5,7H,2,6,8H2,1H3
InChIKeyGKDMKEKQJHFWPX-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.43
Rot. Bonds5

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

1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone (PubChem CID 115784791) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone
PubChem CID115784791
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H13ClN2OS/c1-2-6-15-7-5-14-12(15)8-9(16)10-3-4-11(13)17-10/h3-5,7H,2,6,8H2,1H3
InChIKeyGKDMKEKQJHFWPX-UHFFFAOYSA-N
XLogP3.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784458
1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784716
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784807
1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 22938877
1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784801
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethanone
CID 114979264
1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784740
2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone
CID 79744288
1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 112731562
1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone
CID 115784838
1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 79744097
(E)-1-(1-propylimidazol-2-yl)pent-3-en-2-one
CID 103453243

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone (CID 115784791) is 1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone is CCCn1ccnc1CC(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone?
The InChIKey is GKDMKEKQJHFWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-2-6-15-7-5-14-12(15)8-9(16)10-3-4-11(13)17-10/h3-5,7H,2,6,8H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone?
1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone has a molecular weight of 268.77 g/mol, XLogP of 3.43, 5 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-propylimidazol-2-yl)ethanone is sourced from PubChem (CID 115784791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).