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

C22H21N3OS2 — CID 41041927

IUPAC2-(2-ethylbenzimidazol-1-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESCCc1nc2ccccc2n1CC(=O)N1CCc2sccc2[C@H]1c1cccs1
InChIInChI=1S/C22H21N3OS2/c1-2-20-23-16-6-3-4-7-17(16)25(20)14-21(26)24-11-9-18-15(10-13-28-18)22(24)19-8-5-12-27-19/h3-8,10,12-13,22H,2,9,11,14H2,1H3/t22-/m0/s1
InChIKeyBGHWCKPAQTZNED-QFIPXVFZSA-N
MW407.56 g/mol
LogP4.90
Rot. Bonds4

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

2-(2-ethylbenzimidazol-1-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (PubChem CID 41041927) has the molecular formula C22H21N3OS2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-(2-ethylbenzimidazol-1-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethylbenzimidazol-1-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
PubChem CID41041927
Molecular FormulaC22H21N3OS2
Molecular Weight407.56 g/mol
Exact Mass407.11
IUPAC Name2-(2-ethylbenzimidazol-1-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESCCc1nc2ccccc2n1CC(=O)N1CCc2sccc2[C@H]1c1cccs1
InChIInChI=1S/C22H21N3OS2/c1-2-20-23-16-6-3-4-7-17(16)25(20)14-21(26)24-11-9-18-15(10-13-28-18)22(24)19-8-5-12-27-19/h3-8,10,12-13,22H,2,9,11,14H2,1H3/t22-/m0/s1
InChIKeyBGHWCKPAQTZNED-QFIPXVFZSA-N
XLogP4.90
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-methyl-2-[3-oxo-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinazolin-4-one
CID 17494738
(5S)-5-ethyl-5-methyl-3-[2-oxo-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]imidazolidine-2,4-dione
CID 40844552
2-(4-methoxyphenoxy)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9074713
2-(2-propoxyphenoxy)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9075071
1-ethyl-3-methyl-6-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)quinoxalin-2-one
CID 42887482
2-(3-hydroxypiperidin-1-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 47015675
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 41012822
3-(2-methoxyphenyl)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 9075123
2-(4-methoxyphenyl)sulfanyl-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9075414
2-naphthalen-2-yloxy-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9074657
2-[methyl-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]amino]-N-propan-2-ylacetamide
CID 24567907
2-[ethyl-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]amino]-N-propan-2-ylacetamide
CID 42897091

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (CID 41041927) is 2-(2-ethylbenzimidazol-1-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(2-ethylbenzimidazol-1-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(2-ethylbenzimidazol-1-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is CCc1nc2ccccc2n1CC(=O)N1CCc2sccc2[C@H]1c1cccs1.
What is the InChIKey of 2-(2-ethylbenzimidazol-1-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The InChIKey is BGHWCKPAQTZNED-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H21N3OS2/c1-2-20-23-16-6-3-4-7-17(16)25(20)14-21(26)24-11-9-18-15(10-13-28-18)22(24)19-8-5-12-27-19/h3-8,10,12-13,22H,2,9,11,14H2,1H3/t22-/m0/s1.
What are the key properties of 2-(2-ethylbenzimidazol-1-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
2-(2-ethylbenzimidazol-1-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone has a molecular weight of 407.56 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbenzimidazol-1-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 41041927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).