acetic acid;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

C28H25N5O3S — CID 89487194

IUPACacetic acid;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
SMILESCC(=O)O.c1cc2cc(-c3ccc(-c4cc5ccc(C6=NCCN6)cc5o4)s3)[nH]c2cc1C1=NCCN1
InChIInChI=1S/C26H21N5OS.C2H4O2/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;1-2(3)4/h1-6,11-14,31H,7-10H2,(H,27,28)(H,29,30);1H3,(H,3,4)
InChIKeyDYRZJUMBXSAWPG-UHFFFAOYSA-N
MW511.61 g/mol
LogP5.10
Rot. Bonds4

About acetic acid;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

acetic acid;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 89487194) has the molecular formula C28H25N5O3S and a molecular weight of 511.61 g/mol. Its IUPAC name is acetic acid;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 Nameacetic acid;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 CID89487194
Molecular FormulaC28H25N5O3S
Molecular Weight511.61 g/mol
Exact Mass511.17
IUPAC Nameacetic acid;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
SMILESCC(=O)O.c1cc2cc(-c3ccc(-c4cc5ccc(C6=NCCN6)cc5o4)s3)[nH]c2cc1C1=NCCN1
InChIInChI=1S/C26H21N5OS.C2H4O2/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;1-2(3)4/h1-6,11-14,31H,7-10H2,(H,27,28)(H,29,30);1H3,(H,3,4)
InChIKeyDYRZJUMBXSAWPG-UHFFFAOYSA-N
XLogP5.10
TPSA115.01 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.61
LogP ≤ 55.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze acetic acid;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 acetic acid;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 acetic acid;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 89487194) is acetic acid;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 acetic acid;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 acetic acid;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 CC(=O)O.c1cc2cc(-c3ccc(-c4cc5ccc(C6=NCCN6)cc5o4)s3)[nH]c2cc1C1=NCCN1.
What is the InChIKey of acetic acid;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 DYRZJUMBXSAWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5OS.C2H4O2/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;1-2(3)4/h1-6,11-14,31H,7-10H2,(H,27,28)(H,29,30);1H3,(H,3,4).
What are the key properties of acetic acid;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?
acetic acid;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 511.61 g/mol, XLogP of 5.10, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;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 89487194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).