6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole

C26H21N5OS — CID 89486972

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole
SMILESc1cc2cc(-c3ccc(-c4cc5ccc(C6=NCCN6)cc5o4)s3)[nH]c2cc1C1=NCCN1
InChIInChI=1S/C26H21N5OS/c1-3-17(25-27-7-8-28-25)12-19-15(1)11-20(31-19)23-5-6-24(33-23)22-13-16-2-4-18(14-21(16)32-22)26-29-9-10-30-26/h1-6,11-14,31H,7-10H2,(H,27,28)(H,29,30)
InChIKeyNQWQXYLIKGZRIG-UHFFFAOYSA-N
MW451.56 g/mol
LogP5.01
Rot. Bonds4

About 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole (PubChem CID 89486972) has the molecular formula C26H21N5OS and a molecular weight of 451.56 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole
PubChem CID89486972
Molecular FormulaC26H21N5OS
Molecular Weight451.56 g/mol
Exact Mass451.15
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole
SMILESc1cc2cc(-c3ccc(-c4cc5ccc(C6=NCCN6)cc5o4)s3)[nH]c2cc1C1=NCCN1
InChIInChI=1S/C26H21N5OS/c1-3-17(25-27-7-8-28-25)12-19-15(1)11-20(31-19)23-5-6-24(33-23)22-13-16-2-4-18(14-21(16)32-22)26-29-9-10-30-26/h1-6,11-14,31H,7-10H2,(H,27,28)(H,29,30)
InChIKeyNQWQXYLIKGZRIG-UHFFFAOYSA-N
XLogP5.01
TPSA77.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.56
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole (CID 89486972) is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole is c1cc2cc(-c3ccc(-c4cc5ccc(C6=NCCN6)cc5o4)s3)[nH]c2cc1C1=NCCN1.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole?
The InChIKey is NQWQXYLIKGZRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5OS/c1-3-17(25-27-7-8-28-25)12-19-15(1)11-20(31-19)23-5-6-24(33-23)22-13-16-2-4-18(14-21(16)32-22)26-29-9-10-30-26/h1-6,11-14,31H,7-10H2,(H,27,28)(H,29,30).
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole?
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole has a molecular weight of 451.56 g/mol, XLogP of 5.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole is sourced from PubChem (CID 89486972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).