4-(benzimidazol-1-yl)-2,6-diphenylthieno[2,3-d]pyrimidine

C25H16N4S — CID 2132610

IUPAC4-(benzimidazol-1-yl)-2,6-diphenylthieno[2,3-d]pyrimidine
SMILESc1ccc(-c2nc(-n3cnc4ccccc43)c3cc(-c4ccccc4)sc3n2)cc1
InChIInChI=1S/C25H16N4S/c1-3-9-17(10-4-1)22-15-19-24(29-16-26-20-13-7-8-14-21(20)29)27-23(28-25(19)30-22)18-11-5-2-6-12-18/h1-16H
InChIKeyGFVOYYVROFMMFW-UHFFFAOYSA-N
MW404.50 g/mol
LogP6.36
Rot. Bonds3

About 4-(benzimidazol-1-yl)-2,6-diphenylthieno[2,3-d]pyrimidine

4-(benzimidazol-1-yl)-2,6-diphenylthieno[2,3-d]pyrimidine (PubChem CID 2132610) has the molecular formula C25H16N4S and a molecular weight of 404.50 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-2,6-diphenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-2,6-diphenylthieno[2,3-d]pyrimidine
PubChem CID2132610
Molecular FormulaC25H16N4S
Molecular Weight404.50 g/mol
Exact Mass404.11
IUPAC Name4-(benzimidazol-1-yl)-2,6-diphenylthieno[2,3-d]pyrimidine
SMILESc1ccc(-c2nc(-n3cnc4ccccc43)c3cc(-c4ccccc4)sc3n2)cc1
InChIInChI=1S/C25H16N4S/c1-3-9-17(10-4-1)22-15-19-24(29-16-26-20-13-7-8-14-21(20)29)27-23(28-25(19)30-22)18-11-5-2-6-12-18/h1-16H
InChIKeyGFVOYYVROFMMFW-UHFFFAOYSA-N
XLogP6.36
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.50
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-2,6-diphenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(benzimidazol-1-yl)-2,6-diphenylthieno[2,3-d]pyrimidine (CID 2132610) is 4-(benzimidazol-1-yl)-2,6-diphenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-2,6-diphenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(benzimidazol-1-yl)-2,6-diphenylthieno[2,3-d]pyrimidine is c1ccc(-c2nc(-n3cnc4ccccc43)c3cc(-c4ccccc4)sc3n2)cc1.
What is the InChIKey of 4-(benzimidazol-1-yl)-2,6-diphenylthieno[2,3-d]pyrimidine?
The InChIKey is GFVOYYVROFMMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4S/c1-3-9-17(10-4-1)22-15-19-24(29-16-26-20-13-7-8-14-21(20)29)27-23(28-25(19)30-22)18-11-5-2-6-12-18/h1-16H.
What are the key properties of 4-(benzimidazol-1-yl)-2,6-diphenylthieno[2,3-d]pyrimidine?
4-(benzimidazol-1-yl)-2,6-diphenylthieno[2,3-d]pyrimidine has a molecular weight of 404.50 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-2,6-diphenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2132610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).