6-(4,5-dihydro-1H-imidazol-2-yl)-2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-difluoromethyl]-1H-benzimidazole

C21H18F2N8 — CID 54187477

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-difluoromethyl]-1H-benzimidazole
SMILESFC(F)(c1nc2ccc(C3=NCCN3)cc2[nH]1)c1nc2ccc(C3=NCCN3)cc2[nH]1
InChIInChI=1S/C21H18F2N8/c22-21(23,19-28-13-3-1-11(9-15(13)30-19)17-24-5-6-25-17)20-29-14-4-2-12(10-16(14)31-20)18-26-7-8-27-18/h1-4,9-10H,5-8H2,(H,24,25)(H,26,27)(H,28,30)(H,29,31)
InChIKeyPGBXYEKPTICJMX-UHFFFAOYSA-N
MW420.43 g/mol
LogP2.28
Rot. Bonds4

About 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-difluoromethyl]-1H-benzimidazole

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-difluoromethyl]-1H-benzimidazole (PubChem CID 54187477) has the molecular formula C21H18F2N8 and a molecular weight of 420.43 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-difluoromethyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-difluoromethyl]-1H-benzimidazole
PubChem CID54187477
Molecular FormulaC21H18F2N8
Molecular Weight420.43 g/mol
Exact Mass420.16
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-difluoromethyl]-1H-benzimidazole
SMILESFC(F)(c1nc2ccc(C3=NCCN3)cc2[nH]1)c1nc2ccc(C3=NCCN3)cc2[nH]1
InChIInChI=1S/C21H18F2N8/c22-21(23,19-28-13-3-1-11(9-15(13)30-19)17-24-5-6-25-17)20-29-14-4-2-12(10-16(14)31-20)18-26-7-8-27-18/h1-4,9-10H,5-8H2,(H,24,25)(H,26,27)(H,28,30)(H,29,31)
InChIKeyPGBXYEKPTICJMX-UHFFFAOYSA-N
XLogP2.28
TPSA106.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-difluoromethyl]-1H-benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-difluoromethyl]-1H-benzimidazole?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-difluoromethyl]-1H-benzimidazole (CID 54187477) is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-difluoromethyl]-1H-benzimidazole.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-difluoromethyl]-1H-benzimidazole?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-difluoromethyl]-1H-benzimidazole is FC(F)(c1nc2ccc(C3=NCCN3)cc2[nH]1)c1nc2ccc(C3=NCCN3)cc2[nH]1.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-difluoromethyl]-1H-benzimidazole?
The InChIKey is PGBXYEKPTICJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N8/c22-21(23,19-28-13-3-1-11(9-15(13)30-19)17-24-5-6-25-17)20-29-14-4-2-12(10-16(14)31-20)18-26-7-8-27-18/h1-4,9-10H,5-8H2,(H,24,25)(H,26,27)(H,28,30)(H,29,31).
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-difluoromethyl]-1H-benzimidazole?
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-difluoromethyl]-1H-benzimidazole has a molecular weight of 420.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 4 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-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-difluoromethyl]-1H-benzimidazole is sourced from PubChem (CID 54187477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).