cyclohexane;1-(3-fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-(4-methylsulfonyl-3-piperidin-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one

C51H64FN13O6S2 — CID 167564183

IUPACcyclohexane;1-(3-fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-(4-methylsulfonyl-3-piperidin-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
SMILESC1CCCCC1.CC(C)n1cnnc1-c1cccc(N2CCN(c3ccc(S(C)(=O)=O)c(F)c3)C2=O)n1.CC(C)n1cnnc1-c1cccc(N2CCN(c3ccc(S(C)(=O)=O)c(N4CCCCC4)c3)C2=O)n1
InChIInChI=1S/C25H31N7O3S.C20H21FN6O3S.C6H12/c1-18(2)32-17-26-28-24(32)20-8-7-9-23(27-20)31-15-14-30(25(31)33)19-10-11-22(36(3,34)35)21(16-19)29-12-5-4-6-13-29;1-13(2)27-12-22-24-19(27)16-5-4-6-18(23-16)26-10-9-25(20(26)28)14-7-8-17(15(21)11-14)31(3,29)30;1-2-4-6-5-3-1/h7-11,16-18H,4-6,12-15H2,1-3H3;4-8,11-13H,9-10H2,1-3H3;1-6H2
InChIKeyFBFYEPKKZOUCPH-UHFFFAOYSA-N
MW1038.29 g/mol
LogP9.01
Rot. Bonds11

About cyclohexane;1-(3-fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-(4-methylsulfonyl-3-piperidin-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one

cyclohexane;1-(3-fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-(4-methylsulfonyl-3-piperidin-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 167564183) has the molecular formula C51H64FN13O6S2 and a molecular weight of 1038.29 g/mol. Its IUPAC name is cyclohexane;1-(3-fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-(4-methylsulfonyl-3-piperidin-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Namecyclohexane;1-(3-fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-(4-methylsulfonyl-3-piperidin-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
PubChem CID167564183
Molecular FormulaC51H64FN13O6S2
Molecular Weight1038.29 g/mol
Exact Mass1037.45
IUPAC Namecyclohexane;1-(3-fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-(4-methylsulfonyl-3-piperidin-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
SMILESC1CCCCC1.CC(C)n1cnnc1-c1cccc(N2CCN(c3ccc(S(C)(=O)=O)c(F)c3)C2=O)n1.CC(C)n1cnnc1-c1cccc(N2CCN(c3ccc(S(C)(=O)=O)c(N4CCCCC4)c3)C2=O)n1
InChIInChI=1S/C25H31N7O3S.C20H21FN6O3S.C6H12/c1-18(2)32-17-26-28-24(32)20-8-7-9-23(27-20)31-15-14-30(25(31)33)19-10-11-22(36(3,34)35)21(16-19)29-12-5-4-6-13-29;1-13(2)27-12-22-24-19(27)16-5-4-6-18(23-16)26-10-9-25(20(26)28)14-7-8-17(15(21)11-14)31(3,29)30;1-2-4-6-5-3-1/h7-11,16-18H,4-6,12-15H2,1-3H3;4-8,11-13H,9-10H2,1-3H3;1-6H2
InChIKeyFBFYEPKKZOUCPH-UHFFFAOYSA-N
XLogP9.01
TPSA205.82 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001038.29
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze cyclohexane;1-(3-fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-(4-methylsulfonyl-3-piperidin-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one with MolForge

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Related Compounds

1-(3-Fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
CID 155435123
1-(2-Fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
CID 155435166
1-(4-Methylsulfonyl-3-pyrrolidin-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
CID 155435137
1-(4-Methylsulfonyl-3-piperidin-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
CID 155435157
4-Bromo-2-fluoro-1-methylsulfonylbenzene;1-(3-fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
CID 167567908
1-Bromo-4-methylsulfonylbenzene;1-(4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
CID 167643153

Frequently Asked Questions

What is the IUPAC name of cyclohexane;1-(3-fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-(4-methylsulfonyl-3-piperidin-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of cyclohexane;1-(3-fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-(4-methylsulfonyl-3-piperidin-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one (CID 167564183) is cyclohexane;1-(3-fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-(4-methylsulfonyl-3-piperidin-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for cyclohexane;1-(3-fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-(4-methylsulfonyl-3-piperidin-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for cyclohexane;1-(3-fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-(4-methylsulfonyl-3-piperidin-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one is C1CCCCC1.CC(C)n1cnnc1-c1cccc(N2CCN(c3ccc(S(C)(=O)=O)c(F)c3)C2=O)n1.CC(C)n1cnnc1-c1cccc(N2CCN(c3ccc(S(C)(=O)=O)c(N4CCCCC4)c3)C2=O)n1.
What is the InChIKey of cyclohexane;1-(3-fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-(4-methylsulfonyl-3-piperidin-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is FBFYEPKKZOUCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O3S.C20H21FN6O3S.C6H12/c1-18(2)32-17-26-28-24(32)20-8-7-9-23(27-20)31-15-14-30(25(31)33)19-10-11-22(36(3,34)35)21(16-19)29-12-5-4-6-13-29;1-13(2)27-12-22-24-19(27)16-5-4-6-18(23-16)26-10-9-25(20(26)28)14-7-8-17(15(21)11-14)31(3,29)30;1-2-4-6-5-3-1/h7-11,16-18H,4-6,12-15H2,1-3H3;4-8,11-13H,9-10H2,1-3H3;1-6H2.
What are the key properties of cyclohexane;1-(3-fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-(4-methylsulfonyl-3-piperidin-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one?
cyclohexane;1-(3-fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-(4-methylsulfonyl-3-piperidin-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 1038.29 g/mol, XLogP of 9.01, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;1-(3-fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-(4-methylsulfonyl-3-piperidin-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 167564183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).