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

C24H25ClN4O4S — CID 91516652

IUPAC6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-yl]-2-methyl-1H-imidazo[1,2-c]imidazol-5-one
SMILESCc1cn2c(=O)n(N3CCC(C(=O)CCS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)cc2[nH]1
InChIInChI=1S/C24H25ClN4O4S/c1-16-14-28-23(26-16)15-29(24(28)31)27-9-6-17(7-10-27)22(30)8-11-34(32,33)21-5-3-18-12-20(25)4-2-19(18)13-21/h2-5,12-15,17,26H,6-11H2,1H3
InChIKeyIEXNHFNIRYJRJV-UHFFFAOYSA-N
MW501.01 g/mol
LogP3.33
Rot. Bonds6

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

6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-yl]-2-methyl-1H-imidazo[1,2-c]imidazol-5-one (PubChem CID 91516652) has the molecular formula C24H25ClN4O4S and a molecular weight of 501.01 g/mol. Its IUPAC name is 6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-yl]-2-methyl-1H-imidazo[1,2-c]imidazol-5-one.

Molecular Properties

Compound Name6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-yl]-2-methyl-1H-imidazo[1,2-c]imidazol-5-one
PubChem CID91516652
Molecular FormulaC24H25ClN4O4S
Molecular Weight501.01 g/mol
Exact Mass500.13
IUPAC Name6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-yl]-2-methyl-1H-imidazo[1,2-c]imidazol-5-one
SMILESCc1cn2c(=O)n(N3CCC(C(=O)CCS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)cc2[nH]1
InChIInChI=1S/C24H25ClN4O4S/c1-16-14-28-23(26-16)15-29(24(28)31)27-9-6-17(7-10-27)22(30)8-11-34(32,33)21-5-3-18-12-20(25)4-2-19(18)13-21/h2-5,12-15,17,26H,6-11H2,1H3
InChIKeyIEXNHFNIRYJRJV-UHFFFAOYSA-N
XLogP3.33
TPSA96.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.01
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1H-imidazo[1,2-c]imidazol-5-one
CID 91258829
methyl 3-(6-chloronaphthalen-2-yl)sulfonylpropanoate
CID 11335965
7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 66852881
6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
CID 66853029
5-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1-methyl-2-(methylamino)-5,6-dihydrocyclopenta[b]pyrrol-4-one
CID 91346628
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[2-(hydroxymethyl)-4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-1-yl]propan-1-one
CID 139991602
3-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyrimidin-3-ylpiperidin-1-yl)propan-1-one
CID 66852882
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)piperidin-1-yl]propan-1-one
CID 66854508
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(methylsulfinylmethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one
CID 139991550
prop-2-enyl (NZ)-N-[5-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-1,3-thiazol-2-ylidene]carbamate
CID 140536539
1-[4-(2-butylimidazol-1-yl)piperidin-1-yl]-3-(6-chloronaphthalen-2-yl)sulfonylpropan-1-one
CID 66853646
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 161276041

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-yl]-2-methyl-1H-imidazo[1,2-c]imidazol-5-one?
The IUPAC name of 6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-yl]-2-methyl-1H-imidazo[1,2-c]imidazol-5-one (CID 91516652) is 6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-yl]-2-methyl-1H-imidazo[1,2-c]imidazol-5-one.
What is the SMILES notation for 6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-yl]-2-methyl-1H-imidazo[1,2-c]imidazol-5-one?
The canonical SMILES for 6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-yl]-2-methyl-1H-imidazo[1,2-c]imidazol-5-one is Cc1cn2c(=O)n(N3CCC(C(=O)CCS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)cc2[nH]1.
What is the InChIKey of 6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-yl]-2-methyl-1H-imidazo[1,2-c]imidazol-5-one?
The InChIKey is IEXNHFNIRYJRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O4S/c1-16-14-28-23(26-16)15-29(24(28)31)27-9-6-17(7-10-27)22(30)8-11-34(32,33)21-5-3-18-12-20(25)4-2-19(18)13-21/h2-5,12-15,17,26H,6-11H2,1H3.
What are the key properties of 6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-yl]-2-methyl-1H-imidazo[1,2-c]imidazol-5-one?
6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-yl]-2-methyl-1H-imidazo[1,2-c]imidazol-5-one has a molecular weight of 501.01 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-yl]-2-methyl-1H-imidazo[1,2-c]imidazol-5-one is sourced from PubChem (CID 91516652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).