1-(3H-benzimidazol-5-yl)-5-(6-fluoro-1H-indol-3-yl)-3-phenyl-4-propyliminoimidazolidin-2-one

C27H23FN6O — CID 69296040

IUPAC1-(3H-benzimidazol-5-yl)-5-(6-fluoro-1H-indol-3-yl)-3-phenyl-4-propyliminoimidazolidin-2-one
SMILESCCC/N=C1/C(c2c[nH]c3cc(F)ccc23)N(c2ccc3nc[nH]c3c2)C(=O)N1c1ccccc1
InChIInChI=1S/C27H23FN6O/c1-2-12-29-26-25(21-15-30-23-13-17(28)8-10-20(21)23)33(19-9-11-22-24(14-19)32-16-31-22)27(35)34(26)18-6-4-3-5-7-18/h3-11,13-16,25,30H,2,12H2,1H3,(H,31,32)/b29-26-
InChIKeyXLCGXXAZJPDYFD-WCTVFOPTSA-N
MW466.52 g/mol
LogP6.18
Rot. Bonds5

About 1-(3H-benzimidazol-5-yl)-5-(6-fluoro-1H-indol-3-yl)-3-phenyl-4-propyliminoimidazolidin-2-one

1-(3H-benzimidazol-5-yl)-5-(6-fluoro-1H-indol-3-yl)-3-phenyl-4-propyliminoimidazolidin-2-one (PubChem CID 69296040) has the molecular formula C27H23FN6O and a molecular weight of 466.52 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-(6-fluoro-1H-indol-3-yl)-3-phenyl-4-propyliminoimidazolidin-2-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-(6-fluoro-1H-indol-3-yl)-3-phenyl-4-propyliminoimidazolidin-2-one
PubChem CID69296040
Molecular FormulaC27H23FN6O
Molecular Weight466.52 g/mol
Exact Mass466.19
IUPAC Name1-(3H-benzimidazol-5-yl)-5-(6-fluoro-1H-indol-3-yl)-3-phenyl-4-propyliminoimidazolidin-2-one
SMILESCCC/N=C1/C(c2c[nH]c3cc(F)ccc23)N(c2ccc3nc[nH]c3c2)C(=O)N1c1ccccc1
InChIInChI=1S/C27H23FN6O/c1-2-12-29-26-25(21-15-30-23-13-17(28)8-10-20(21)23)33(19-9-11-22-24(14-19)32-16-31-22)27(35)34(26)18-6-4-3-5-7-18/h3-11,13-16,25,30H,2,12H2,1H3,(H,31,32)/b29-26-
InChIKeyXLCGXXAZJPDYFD-WCTVFOPTSA-N
XLogP6.18
TPSA80.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.52
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-5-(6-fluoro-1H-indol-3-yl)-3-phenyl-4-propyliminoimidazolidin-2-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-(6-fluoro-1H-indol-3-yl)-3-phenyl-4-propyliminoimidazolidin-2-one (CID 69296040) is 1-(3H-benzimidazol-5-yl)-5-(6-fluoro-1H-indol-3-yl)-3-phenyl-4-propyliminoimidazolidin-2-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-(6-fluoro-1H-indol-3-yl)-3-phenyl-4-propyliminoimidazolidin-2-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-(6-fluoro-1H-indol-3-yl)-3-phenyl-4-propyliminoimidazolidin-2-one is CCC/N=C1/C(c2c[nH]c3cc(F)ccc23)N(c2ccc3nc[nH]c3c2)C(=O)N1c1ccccc1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-(6-fluoro-1H-indol-3-yl)-3-phenyl-4-propyliminoimidazolidin-2-one?
The InChIKey is XLCGXXAZJPDYFD-WCTVFOPTSA-N. The full InChI is InChI=1S/C27H23FN6O/c1-2-12-29-26-25(21-15-30-23-13-17(28)8-10-20(21)23)33(19-9-11-22-24(14-19)32-16-31-22)27(35)34(26)18-6-4-3-5-7-18/h3-11,13-16,25,30H,2,12H2,1H3,(H,31,32)/b29-26-.
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-(6-fluoro-1H-indol-3-yl)-3-phenyl-4-propyliminoimidazolidin-2-one?
1-(3H-benzimidazol-5-yl)-5-(6-fluoro-1H-indol-3-yl)-3-phenyl-4-propyliminoimidazolidin-2-one has a molecular weight of 466.52 g/mol, XLogP of 6.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-5-(6-fluoro-1H-indol-3-yl)-3-phenyl-4-propyliminoimidazolidin-2-one is sourced from PubChem (CID 69296040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).