ethyl 2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazole-1-carboxylate

C18H15N3O3S2 — CID 14461496

IUPACethyl 2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazole-1-carboxylate
SMILESCCOC(=O)n1c(S(=O)Cc2nccc3ccsc23)nc2ccccc21
InChIInChI=1S/C18H15N3O3S2/c1-2-24-18(22)21-15-6-4-3-5-13(15)20-17(21)26(23)11-14-16-12(7-9-19-14)8-10-25-16/h3-10H,2,11H2,1H3
InChIKeyCDPLTSWCZHCCNN-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.96
Rot. Bonds4

About ethyl 2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazole-1-carboxylate

ethyl 2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazole-1-carboxylate (PubChem CID 14461496) has the molecular formula C18H15N3O3S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is ethyl 2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazole-1-carboxylate
PubChem CID14461496
Molecular FormulaC18H15N3O3S2
Molecular Weight385.47 g/mol
Exact Mass385.06
IUPAC Nameethyl 2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazole-1-carboxylate
SMILESCCOC(=O)n1c(S(=O)Cc2nccc3ccsc23)nc2ccccc21
InChIInChI=1S/C18H15N3O3S2/c1-2-24-18(22)21-15-6-4-3-5-13(15)20-17(21)26(23)11-14-16-12(7-9-19-14)8-10-25-16/h3-10H,2,11H2,1H3
InChIKeyCDPLTSWCZHCCNN-UHFFFAOYSA-N
XLogP3.96
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-Ethoxy-ethyl)-2-(4-ethylsulfanyl-3-methyl-pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole
CID 14877919
4-(2,3-Dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 118059050
4-(2,3-Dimethylimidazol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 118059107
4-[1-(2-Methoxyethyl)benzimidazol-2-yl]sulfanylthieno[2,3-d]pyrimidine
CID 9110961
Acetic acid 2-(4-ethylsulfanyl-3-methyl-pyridin-2-ylmethanesulfinyl)-benzoimidazol-1-ylmethyl ester
CID 14877903
2-(4-Ethylsulfanyl-3-methyl-pyridin-2-ylmethanesulfinyl)-benzoimidazole-1-carboxylic acid ethyl ester
CID 14877909
1-(2-Ethoxy-ethyl)-2-(4-ethylsulfanyl-3-methyl-pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole
CID 14894190
2-(4-Ethylsulfanyl-3-methyl-pyridin-2-ylmethanesulfinyl)-benzoimidazole-1-carboxylic acid benzyl ester
CID 14877910
2-(4-Ethylsulfanyl-3-methyl-pyridin-2-ylmethanesulfinyl)-benzoimidazole-1-carboxylic acid isobutyl ester
CID 14877911
2-(4-Ethylsulfanyl-3-methyl-pyridin-2-ylmethanesulfinyl)-benzoimidazole-1-carboxylic acid vinyl ester
CID 14877914
Octyl 2-[(4-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carboxylate
CID 14877916
2-(4-Ethylsulfanyl-3-methyl-pyridin-2-ylmethanesulfinyl)-benzoimidazole-1-carboxylic acid 2-chloro-ethyl ester
CID 14877917

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazole-1-carboxylate?
The IUPAC name of ethyl 2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazole-1-carboxylate (CID 14461496) is ethyl 2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazole-1-carboxylate.
What is the SMILES notation for ethyl 2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazole-1-carboxylate?
The canonical SMILES for ethyl 2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazole-1-carboxylate is CCOC(=O)n1c(S(=O)Cc2nccc3ccsc23)nc2ccccc21.
What is the InChIKey of ethyl 2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazole-1-carboxylate?
The InChIKey is CDPLTSWCZHCCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S2/c1-2-24-18(22)21-15-6-4-3-5-13(15)20-17(21)26(23)11-14-16-12(7-9-19-14)8-10-25-16/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazole-1-carboxylate?
ethyl 2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazole-1-carboxylate has a molecular weight of 385.47 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(thieno[2,3-c]pyridin-7-ylmethylsulfinyl)benzimidazole-1-carboxylate is sourced from PubChem (CID 14461496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).