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

C19H23N3OS — CID 16676294

IUPAC5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCCC1c2ccsc2CCN1Cc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C19H23N3OS/c1-4-15-14-8-10-24-18(14)7-9-22(15)12-13-5-6-16-17(11-13)21(3)19(23)20(16)2/h5-6,8,10-11,15H,4,7,9,12H2,1-3H3
InChIKeyVATALBNQPNDNPF-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.45
Rot. Bonds3

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

5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 16676294) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID16676294
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCCC1c2ccsc2CCN1Cc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C19H23N3OS/c1-4-15-14-8-10-24-18(14)7-9-22(15)12-13-5-6-16-17(11-13)21(3)19(23)20(16)2/h5-6,8,10-11,15H,4,7,9,12H2,1-3H3
InChIKeyVATALBNQPNDNPF-UHFFFAOYSA-N
XLogP3.45
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-dimethylbenzimidazol-2-one (CID 16676294) is 5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-dimethylbenzimidazol-2-one is CCC1c2ccsc2CCN1Cc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is VATALBNQPNDNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-4-15-14-8-10-24-18(14)7-9-22(15)12-13-5-6-16-17(11-13)21(3)19(23)20(16)2/h5-6,8,10-11,15H,4,7,9,12H2,1-3H3.
What are the key properties of 5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 341.48 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 16676294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).