6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one

C25H27ClN4O4S — CID 66854214

IUPAC6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
SMILESCN1C=C2C(=O)N(C3CCN(C(=O)C4CC4S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)CN2C1
InChIInChI=1S/C25H27ClN4O4S/c1-27-13-22-25(32)30(15-29(22)14-27)19-6-8-28(9-7-19)24(31)21-12-23(21)35(33,34)20-5-3-16-10-18(26)4-2-17(16)11-20/h2-5,10-11,13,19,21,23H,6-9,12,14-15H2,1H3
InChIKeyYILQPWTVEHLBPI-UHFFFAOYSA-N
MW515.04 g/mol
LogP2.49
Rot. Bonds4

About 6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one

6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one (PubChem CID 66854214) has the molecular formula C25H27ClN4O4S and a molecular weight of 515.04 g/mol. Its IUPAC name is 6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one.

Molecular Properties

Compound Name6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
PubChem CID66854214
Molecular FormulaC25H27ClN4O4S
Molecular Weight515.04 g/mol
Exact Mass514.14
IUPAC Name6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
SMILESCN1C=C2C(=O)N(C3CCN(C(=O)C4CC4S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)CN2C1
InChIInChI=1S/C25H27ClN4O4S/c1-27-13-22-25(32)30(15-29(22)14-27)19-6-8-28(9-7-19)24(31)21-12-23(21)35(33,34)20-5-3-16-10-18(26)4-2-17(16)11-20/h2-5,10-11,13,19,21,23H,6-9,12,14-15H2,1H3
InChIKeyYILQPWTVEHLBPI-UHFFFAOYSA-N
XLogP2.49
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.04
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
The IUPAC name of 6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one (CID 66854214) is 6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one.
What is the SMILES notation for 6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
The canonical SMILES for 6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one is CN1C=C2C(=O)N(C3CCN(C(=O)C4CC4S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)CN2C1.
What is the InChIKey of 6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
The InChIKey is YILQPWTVEHLBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O4S/c1-27-13-22-25(32)30(15-29(22)14-27)19-6-8-28(9-7-19)24(31)21-12-23(21)35(33,34)20-5-3-16-10-18(26)4-2-17(16)11-20/h2-5,10-11,13,19,21,23H,6-9,12,14-15H2,1H3.
What are the key properties of 6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one has a molecular weight of 515.04 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one is sourced from PubChem (CID 66854214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).