1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)imidazolidin-2-one

C11H12ClN3O2S — CID 122162031

IUPAC1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)N1CCc2sc(Cl)cc2C1
InChIInChI=1S/C11H12ClN3O2S/c12-9-5-7-6-14(3-1-8(7)18-9)11(17)15-4-2-13-10(15)16/h5H,1-4,6H2,(H,13,16)
InChIKeyFBOFIIMQRURIQU-UHFFFAOYSA-N
MW285.76 g/mol
LogP1.90
Rot. Bonds

About 1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)imidazolidin-2-one

1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)imidazolidin-2-one (PubChem CID 122162031) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)imidazolidin-2-one
PubChem CID122162031
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)N1CCc2sc(Cl)cc2C1
InChIInChI=1S/C11H12ClN3O2S/c12-9-5-7-6-14(3-1-8(7)18-9)11(17)15-4-2-13-10(15)16/h5H,1-4,6H2,(H,13,16)
InChIKeyFBOFIIMQRURIQU-UHFFFAOYSA-N
XLogP1.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)imidazolidin-2-one with MolForge

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Related Compounds

N-[(5-chloro-2-thienyl)methyl]-2-(2,5-dioxo-1-imidazolidinyl)acetamide
CID 29220105
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]imidazolidin-2-one
CID 29483097
3-[(5-Chloro-2-thienyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849139
2-chloro-N-(4-fluorobenzyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxamide
CID 122162067
1-[2-[4-[(5-Chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]imidazolidin-2-one
CID 9117444
N-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 17459564
N-(benzylcarbamoyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8002127
N-(benzylcarbamoyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide
CID 8002128
1-[2-[4-[(5-Chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetyl]imidazolidin-2-one
CID 9117443
(3-Benzyl-2,4,5-trioxoimidazolidin-1-yl)methyl-[(5-chlorothiophen-2-yl)methyl]-ethylazanium
CID 9171493
(3-Benzyl-2,4,5-trioxoimidazolidin-1-yl)methyl-[(5-chlorothiophen-2-yl)methyl]-methylazanium
CID 9171974
N-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 17466137

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)imidazolidin-2-one?
The IUPAC name of 1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)imidazolidin-2-one (CID 122162031) is 1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)imidazolidin-2-one is O=C1NCCN1C(=O)N1CCc2sc(Cl)cc2C1.
What is the InChIKey of 1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)imidazolidin-2-one?
The InChIKey is FBOFIIMQRURIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c12-9-5-7-6-14(3-1-8(7)18-9)11(17)15-4-2-13-10(15)16/h5H,1-4,6H2,(H,13,16).
What are the key properties of 1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)imidazolidin-2-one?
1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)imidazolidin-2-one has a molecular weight of 285.76 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)imidazolidin-2-one is sourced from PubChem (CID 122162031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).