1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-2-methylimidazole

C16H14N2S2 — CID 4059873

IUPAC1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-2-methylimidazole
SMILESCc1nccn1C1c2ccccc2CSc2sccc21
InChIInChI=1S/C16H14N2S2/c1-11-17-7-8-18(11)15-13-5-3-2-4-12(13)10-20-16-14(15)6-9-19-16/h2-9,15H,10H2,1H3
InChIKeyLEGQVWNLLGPPJU-UHFFFAOYSA-N
MW298.44 g/mol
LogP4.50
Rot. Bonds1

About 1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-2-methylimidazole

1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-2-methylimidazole (PubChem CID 4059873) has the molecular formula C16H14N2S2 and a molecular weight of 298.44 g/mol. Its IUPAC name is 1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-2-methylimidazole.

Molecular Properties

Compound Name1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-2-methylimidazole
PubChem CID4059873
Molecular FormulaC16H14N2S2
Molecular Weight298.44 g/mol
Exact Mass298.06
IUPAC Name1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-2-methylimidazole
SMILESCc1nccn1C1c2ccccc2CSc2sccc21
InChIInChI=1S/C16H14N2S2/c1-11-17-7-8-18(11)15-13-5-3-2-4-12(13)10-20-16-14(15)6-9-19-16/h2-9,15H,10H2,1H3
InChIKeyLEGQVWNLLGPPJU-UHFFFAOYSA-N
XLogP4.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-2-methylimidazole?
The IUPAC name of 1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-2-methylimidazole (CID 4059873) is 1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-2-methylimidazole.
What is the SMILES notation for 1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-2-methylimidazole?
The canonical SMILES for 1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-2-methylimidazole is Cc1nccn1C1c2ccccc2CSc2sccc21.
What is the InChIKey of 1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-2-methylimidazole?
The InChIKey is LEGQVWNLLGPPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S2/c1-11-17-7-8-18(11)15-13-5-3-2-4-12(13)10-20-16-14(15)6-9-19-16/h2-9,15H,10H2,1H3.
What are the key properties of 1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-2-methylimidazole?
1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-2-methylimidazole has a molecular weight of 298.44 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-2-methylimidazole is sourced from PubChem (CID 4059873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).