6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1H-imidazo[1,2-c]imidazol-5-one

C23H23ClN4O4S — CID 91258829

IUPAC6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1H-imidazo[1,2-c]imidazol-5-one
SMILESO=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(n2cc3[nH]ccn3c2=O)CC1
InChIInChI=1S/C23H23ClN4O4S/c24-18-3-1-17-14-20(4-2-16(17)13-18)33(31,32)12-7-22(29)26-9-5-19(6-10-26)28-15-21-25-8-11-27(21)23(28)30/h1-4,8,11,13-15,19,25H,5-7,9-10,12H2
InChIKeyVGBUOGREYXEGNE-UHFFFAOYSA-N
MW486.98 g/mol
LogP3.26
Rot. Bonds5

About 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1H-imidazo[1,2-c]imidazol-5-one

6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1H-imidazo[1,2-c]imidazol-5-one (PubChem CID 91258829) has the molecular formula C23H23ClN4O4S and a molecular weight of 486.98 g/mol. Its IUPAC name is 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1H-imidazo[1,2-c]imidazol-5-one.

Molecular Properties

Compound Name6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1H-imidazo[1,2-c]imidazol-5-one
PubChem CID91258829
Molecular FormulaC23H23ClN4O4S
Molecular Weight486.98 g/mol
Exact Mass486.11
IUPAC Name6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1H-imidazo[1,2-c]imidazol-5-one
SMILESO=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(n2cc3[nH]ccn3c2=O)CC1
InChIInChI=1S/C23H23ClN4O4S/c24-18-3-1-17-14-20(4-2-16(17)13-18)33(31,32)12-7-22(29)26-9-5-19(6-10-26)28-15-21-25-8-11-27(21)23(28)30/h1-4,8,11,13-15,19,25H,5-7,9-10,12H2
InChIKeyVGBUOGREYXEGNE-UHFFFAOYSA-N
XLogP3.26
TPSA96.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.98
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1H-imidazo[1,2-c]imidazol-5-one?
The IUPAC name of 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1H-imidazo[1,2-c]imidazol-5-one (CID 91258829) is 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1H-imidazo[1,2-c]imidazol-5-one.
What is the SMILES notation for 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1H-imidazo[1,2-c]imidazol-5-one?
The canonical SMILES for 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1H-imidazo[1,2-c]imidazol-5-one is O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(n2cc3[nH]ccn3c2=O)CC1.
What is the InChIKey of 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1H-imidazo[1,2-c]imidazol-5-one?
The InChIKey is VGBUOGREYXEGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4S/c24-18-3-1-17-14-20(4-2-16(17)13-18)33(31,32)12-7-22(29)26-9-5-19(6-10-26)28-15-21-25-8-11-27(21)23(28)30/h1-4,8,11,13-15,19,25H,5-7,9-10,12H2.
What are the key properties of 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1H-imidazo[1,2-c]imidazol-5-one?
6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1H-imidazo[1,2-c]imidazol-5-one has a molecular weight of 486.98 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1H-imidazo[1,2-c]imidazol-5-one is sourced from PubChem (CID 91258829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).