4-[6-(2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)-9-methylcarbazol-3-yl]-1,3-dihydrothieno[3,4-d]imidazol-2-one

C23H17N5OS2 — CID 123487349

IUPAC4-[6-(2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)-9-methylcarbazol-3-yl]-1,3-dihydrothieno[3,4-d]imidazol-2-one
SMILESCn1c2ccc(-c3scc4c3NCN4)cc2c2cc(-c3scc4[nH]c(=O)[nH]c34)ccc21
InChIInChI=1S/C23H17N5OS2/c1-28-17-4-2-11(21-19-15(8-30-21)24-10-25-19)6-13(17)14-7-12(3-5-18(14)28)22-20-16(9-31-22)26-23(29)27-20/h2-9,24-25H,10H2,1H3,(H2,26,27,29)
InChIKeyTZBKFPYDFQAYMO-UHFFFAOYSA-N
MW443.56 g/mol
LogP5.75
Rot. Bonds2

About 4-[6-(2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)-9-methylcarbazol-3-yl]-1,3-dihydrothieno[3,4-d]imidazol-2-one

4-[6-(2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)-9-methylcarbazol-3-yl]-1,3-dihydrothieno[3,4-d]imidazol-2-one (PubChem CID 123487349) has the molecular formula C23H17N5OS2 and a molecular weight of 443.56 g/mol. Its IUPAC name is 4-[6-(2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)-9-methylcarbazol-3-yl]-1,3-dihydrothieno[3,4-d]imidazol-2-one.

Molecular Properties

Compound Name4-[6-(2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)-9-methylcarbazol-3-yl]-1,3-dihydrothieno[3,4-d]imidazol-2-one
PubChem CID123487349
Molecular FormulaC23H17N5OS2
Molecular Weight443.56 g/mol
Exact Mass443.09
IUPAC Name4-[6-(2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)-9-methylcarbazol-3-yl]-1,3-dihydrothieno[3,4-d]imidazol-2-one
SMILESCn1c2ccc(-c3scc4c3NCN4)cc2c2cc(-c3scc4[nH]c(=O)[nH]c34)ccc21
InChIInChI=1S/C23H17N5OS2/c1-28-17-4-2-11(21-19-15(8-30-21)24-10-25-19)6-13(17)14-7-12(3-5-18(14)28)22-20-16(9-31-22)26-23(29)27-20/h2-9,24-25H,10H2,1H3,(H2,26,27,29)
InChIKeyTZBKFPYDFQAYMO-UHFFFAOYSA-N
XLogP5.75
TPSA77.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.56
LogP ≤ 55.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[6-(2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)-9-methylcarbazol-3-yl]-1,3-dihydrothieno[3,4-d]imidazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)-9-methylcarbazol-3-yl]-1,3-dihydrothieno[3,4-d]imidazol-2-one?
The IUPAC name of 4-[6-(2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)-9-methylcarbazol-3-yl]-1,3-dihydrothieno[3,4-d]imidazol-2-one (CID 123487349) is 4-[6-(2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)-9-methylcarbazol-3-yl]-1,3-dihydrothieno[3,4-d]imidazol-2-one.
What is the SMILES notation for 4-[6-(2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)-9-methylcarbazol-3-yl]-1,3-dihydrothieno[3,4-d]imidazol-2-one?
The canonical SMILES for 4-[6-(2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)-9-methylcarbazol-3-yl]-1,3-dihydrothieno[3,4-d]imidazol-2-one is Cn1c2ccc(-c3scc4c3NCN4)cc2c2cc(-c3scc4[nH]c(=O)[nH]c34)ccc21.
What is the InChIKey of 4-[6-(2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)-9-methylcarbazol-3-yl]-1,3-dihydrothieno[3,4-d]imidazol-2-one?
The InChIKey is TZBKFPYDFQAYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5OS2/c1-28-17-4-2-11(21-19-15(8-30-21)24-10-25-19)6-13(17)14-7-12(3-5-18(14)28)22-20-16(9-31-22)26-23(29)27-20/h2-9,24-25H,10H2,1H3,(H2,26,27,29).
What are the key properties of 4-[6-(2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)-9-methylcarbazol-3-yl]-1,3-dihydrothieno[3,4-d]imidazol-2-one?
4-[6-(2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)-9-methylcarbazol-3-yl]-1,3-dihydrothieno[3,4-d]imidazol-2-one has a molecular weight of 443.56 g/mol, XLogP of 5.75, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)-9-methylcarbazol-3-yl]-1,3-dihydrothieno[3,4-d]imidazol-2-one is sourced from PubChem (CID 123487349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).