3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

C21H19FN4O2 — CID 24959785

IUPAC3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1cc2cc(F)ccc2[nH]1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C21H19FN4O2/c22-14-5-6-16-13(11-14)12-18(23-16)20(27)25-9-7-15(8-10-25)26-19-4-2-1-3-17(19)24-21(26)28/h1-6,11-12,15,23H,7-10H2,(H,24,28)
InChIKeyVGKVOBPKOUKJAO-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.43
Rot. Bonds2

About 3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 24959785) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID24959785
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1cc2cc(F)ccc2[nH]1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C21H19FN4O2/c22-14-5-6-16-13(11-14)12-18(23-16)20(27)25-9-7-15(8-10-25)26-19-4-2-1-3-17(19)24-21(26)28/h1-6,11-12,15,23H,7-10H2,(H,24,28)
InChIKeyVGKVOBPKOUKJAO-UHFFFAOYSA-N
XLogP3.43
TPSA73.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 24959785) is 3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is O=C(c1cc2cc(F)ccc2[nH]1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is VGKVOBPKOUKJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-14-5-6-16-13(11-14)12-18(23-16)20(27)25-9-7-15(8-10-25)26-19-4-2-1-3-17(19)24-21(26)28/h1-6,11-12,15,23H,7-10H2,(H,24,28).
What are the key properties of 3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 378.41 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 24959785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).