1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanone

C18H19N3OS — CID 30044181

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanone
SMILESCc1cc2ncn(CC(=O)N3CCc4sccc4C3)c2cc1C
InChIInChI=1S/C18H19N3OS/c1-12-7-15-16(8-13(12)2)21(11-19-15)10-18(22)20-5-3-17-14(9-20)4-6-23-17/h4,6-8,11H,3,5,9-10H2,1-2H3
InChIKeyBLLCMMFFQIEQMC-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.30
Rot. Bonds2

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanone

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanone (PubChem CID 30044181) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanone
PubChem CID30044181
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanone
SMILESCc1cc2ncn(CC(=O)N3CCc4sccc4C3)c2cc1C
InChIInChI=1S/C18H19N3OS/c1-12-7-15-16(8-13(12)2)21(11-19-15)10-18(22)20-5-3-17-14(9-20)4-6-23-17/h4,6-8,11H,3,5,9-10H2,1-2H3
InChIKeyBLLCMMFFQIEQMC-UHFFFAOYSA-N
XLogP3.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanone with MolForge

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Related Compounds

2-(benzimidazol-1-yl)-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]ethanimidamide
CID 126812082
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-1-one
CID 3172857
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-1-(2,5-dimethylphenyl)-1,2,4-triazol-3-one
CID 127622004
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 25116648
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone
CID 56781174
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethanone
CID 55503043
2-(1-aminocyclobutyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 79851562
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-piperazin-1-ylethanone
CID 16770326
1-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]piperidine-3-carboxamide
CID 78838915
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3,5-dimethylpiperazin-1-yl)ethanone
CID 63872359
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,5-dimethylanilino)ethanone
CID 37201756

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanone (CID 30044181) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanone is Cc1cc2ncn(CC(=O)N3CCc4sccc4C3)c2cc1C.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanone?
The InChIKey is BLLCMMFFQIEQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-12-7-15-16(8-13(12)2)21(11-19-15)10-18(22)20-5-3-17-14(9-20)4-6-23-17/h4,6-8,11H,3,5,9-10H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanone?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanone has a molecular weight of 325.44 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 30044181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).