3-(1H-benzimidazol-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one

C17H17N3OS — CID 17492856

IUPAC3-(1H-benzimidazol-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
SMILESO=C(CCc1nc2ccccc2[nH]1)N1CCc2sccc2C1
InChIInChI=1S/C17H17N3OS/c21-17(20-9-7-15-12(11-20)8-10-22-15)6-5-16-18-13-3-1-2-4-14(13)19-16/h1-4,8,10H,5-7,9,11H2,(H,18,19)
InChIKeyWSNOLSLIDGWKMB-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.14
Rot. Bonds3

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

3-(1H-benzimidazol-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one (PubChem CID 17492856) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
PubChem CID17492856
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name3-(1H-benzimidazol-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
SMILESO=C(CCc1nc2ccccc2[nH]1)N1CCc2sccc2C1
InChIInChI=1S/C17H17N3OS/c21-17(20-9-7-15-12(11-20)8-10-22-15)6-5-16-18-13-3-1-2-4-14(13)19-16/h1-4,8,10H,5-7,9,11H2,(H,18,19)
InChIKeyWSNOLSLIDGWKMB-UHFFFAOYSA-N
XLogP3.14
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 18144627
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3-(1H-benzimidazol-2-yl)-1-[(3R,4R)-3-(hydroxymethyl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 72937446
3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137025330
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-hydroxyphenyl)ethanone
CID 78990761
6-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one (CID 17492856) is 3-(1H-benzimidazol-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one is O=C(CCc1nc2ccccc2[nH]1)N1CCc2sccc2C1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
The InChIKey is WSNOLSLIDGWKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c21-17(20-9-7-15-12(11-20)8-10-22-15)6-5-16-18-13-3-1-2-4-14(13)19-16/h1-4,8,10H,5-7,9,11H2,(H,18,19).
What are the key properties of 3-(1H-benzimidazol-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
3-(1H-benzimidazol-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one has a molecular weight of 311.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 17492856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).