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

C28H25N5OS — CID 89496044

IUPAC6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole
SMILESCC1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NCC(C)N7)cc6o5)s4)[nH]c3c2)N1
InChIInChI=1S/C28H25N5OS/c1-15-13-29-27(31-15)19-5-3-17-9-22(33-21(17)10-19)25-7-8-26(35-25)24-11-18-4-6-20(12-23(18)34-24)28-30-14-16(2)32-28/h3-12,15-16,33H,13-14H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyUZFXPRJUZJRXDY-UHFFFAOYSA-N
MW479.61 g/mol
LogP5.79
Rot. Bonds4

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

6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole (PubChem CID 89496044) has the molecular formula C28H25N5OS and a molecular weight of 479.61 g/mol. Its IUPAC name is 6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole.

Molecular Properties

Compound Name6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole
PubChem CID89496044
Molecular FormulaC28H25N5OS
Molecular Weight479.61 g/mol
Exact Mass479.18
IUPAC Name6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole
SMILESCC1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NCC(C)N7)cc6o5)s4)[nH]c3c2)N1
InChIInChI=1S/C28H25N5OS/c1-15-13-29-27(31-15)19-5-3-17-9-22(33-21(17)10-19)25-7-8-26(35-25)24-11-18-4-6-20(12-23(18)34-24)28-30-14-16(2)32-28/h3-12,15-16,33H,13-14H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyUZFXPRJUZJRXDY-UHFFFAOYSA-N
XLogP5.79
TPSA77.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.61
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(5-methyl-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-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole?
The IUPAC name of 6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole (CID 89496044) is 6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole.
What is the SMILES notation for 6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole?
The canonical SMILES for 6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole is CC1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NCC(C)N7)cc6o5)s4)[nH]c3c2)N1.
What is the InChIKey of 6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole?
The InChIKey is UZFXPRJUZJRXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5OS/c1-15-13-29-27(31-15)19-5-3-17-9-22(33-21(17)10-19)25-7-8-26(35-25)24-11-18-4-6-20(12-23(18)34-24)28-30-14-16(2)32-28/h3-12,15-16,33H,13-14H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole?
6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole has a molecular weight of 479.61 g/mol, XLogP of 5.79, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole is sourced from PubChem (CID 89496044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).