cyclopentane;1,3-difluoro-5-(6-methyl-5,8-dipropyldodecan-2-yl)benzene;ethane;N-[1-[2-(4-ethyl-1,6-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methyl-4-pyridinyl]ethenyl]-1,6-dimethylbenzimidazol-2-amine;piperidine-2,6-dione

C67H109F2N6O2+ — CID 172617334

IUPACcyclopentane;1,3-difluoro-5-(6-methyl-5,8-dipropyldodecan-2-yl)benzene;ethane;N-[1-[2-(4-ethyl-1,6-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methyl-4-pyridinyl]ethenyl]-1,6-dimethylbenzimidazol-2-amine;piperidine-2,6-dione
SMILESC1CCCC1.C=C(Nc1nc2ccc(C)cc2n1C)c1cc(C)nc(C2=C(CC)CC[N+](C)=C2C)c1.CC.CC.CC.CCCCC(CCC)CC(C)C(CCC)CCC(C)c1cc(F)cc(F)c1.O=C1CCCC(=O)N1
InChIInChI=1S/C26H32N5.C25H42F2.C5H7NO2.C5H10.3C2H6/c1-8-20-11-12-30(6)19(5)25(20)23-15-21(14-17(3)27-23)18(4)28-26-29-22-10-9-16(2)13-24(22)31(26)7;1-6-9-12-21(10-7-2)15-20(5)22(11-8-3)14-13-19(4)23-16-24(26)18-25(27)17-23;7-4-2-1-3-5(8)6-4;1-2-4-5-3-1;3*1-2/h9-10,13-15H,4,8,11-12H2,1-3,5-7H3,(H,28,29);16-22H,6-15H2,1-5H3;1-3H2,(H,6,7,8);1-5H2;3*1-2H3/q+1;;;;;;
InChIKeyNMWCSTBOJBOTKL-UHFFFAOYSA-N
MW1068.64 g/mol
LogP19.08
Rot. Bonds19

About cyclopentane;1,3-difluoro-5-(6-methyl-5,8-dipropyldodecan-2-yl)benzene;ethane;N-[1-[2-(4-ethyl-1,6-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methyl-4-pyridinyl]ethenyl]-1,6-dimethylbenzimidazol-2-amine;piperidine-2,6-dione

cyclopentane;1,3-difluoro-5-(6-methyl-5,8-dipropyldodecan-2-yl)benzene;ethane;N-[1-[2-(4-ethyl-1,6-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methyl-4-pyridinyl]ethenyl]-1,6-dimethylbenzimidazol-2-amine;piperidine-2,6-dione (PubChem CID 172617334) has the molecular formula C67H109F2N6O2+ and a molecular weight of 1068.64 g/mol. Its IUPAC name is cyclopentane;1,3-difluoro-5-(6-methyl-5,8-dipropyldodecan-2-yl)benzene;ethane;N-[1-[2-(4-ethyl-1,6-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methyl-4-pyridinyl]ethenyl]-1,6-dimethylbenzimidazol-2-amine;piperidine-2,6-dione.

Molecular Properties

Compound Namecyclopentane;1,3-difluoro-5-(6-methyl-5,8-dipropyldodecan-2-yl)benzene;ethane;N-[1-[2-(4-ethyl-1,6-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methyl-4-pyridinyl]ethenyl]-1,6-dimethylbenzimidazol-2-amine;piperidine-2,6-dione
PubChem CID172617334
Molecular FormulaC67H109F2N6O2+
Molecular Weight1068.64 g/mol
Exact Mass1067.86
IUPAC Namecyclopentane;1,3-difluoro-5-(6-methyl-5,8-dipropyldodecan-2-yl)benzene;ethane;N-[1-[2-(4-ethyl-1,6-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methyl-4-pyridinyl]ethenyl]-1,6-dimethylbenzimidazol-2-amine;piperidine-2,6-dione
SMILESC1CCCC1.C=C(Nc1nc2ccc(C)cc2n1C)c1cc(C)nc(C2=C(CC)CC[N+](C)=C2C)c1.CC.CC.CC.CCCCC(CCC)CC(C)C(CCC)CCC(C)c1cc(F)cc(F)c1.O=C1CCCC(=O)N1
InChIInChI=1S/C26H32N5.C25H42F2.C5H7NO2.C5H10.3C2H6/c1-8-20-11-12-30(6)19(5)25(20)23-15-21(14-17(3)27-23)18(4)28-26-29-22-10-9-16(2)13-24(22)31(26)7;1-6-9-12-21(10-7-2)15-20(5)22(11-8-3)14-13-19(4)23-16-24(26)18-25(27)17-23;7-4-2-1-3-5(8)6-4;1-2-4-5-3-1;3*1-2/h9-10,13-15H,4,8,11-12H2,1-3,5-7H3,(H,28,29);16-22H,6-15H2,1-5H3;1-3H2,(H,6,7,8);1-5H2;3*1-2H3/q+1;;;;;;
InChIKeyNMWCSTBOJBOTKL-UHFFFAOYSA-N
XLogP19.08
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001068.64
LogP ≤ 519.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze cyclopentane;1,3-difluoro-5-(6-methyl-5,8-dipropyldodecan-2-yl)benzene;ethane;N-[1-[2-(4-ethyl-1,6-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methyl-4-pyridinyl]ethenyl]-1,6-dimethylbenzimidazol-2-amine;piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;1,3-difluoro-5-(6-methyl-5,8-dipropyldodecan-2-yl)benzene;ethane;N-[1-[2-(4-ethyl-1,6-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methyl-4-pyridinyl]ethenyl]-1,6-dimethylbenzimidazol-2-amine;piperidine-2,6-dione?
The IUPAC name of cyclopentane;1,3-difluoro-5-(6-methyl-5,8-dipropyldodecan-2-yl)benzene;ethane;N-[1-[2-(4-ethyl-1,6-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methyl-4-pyridinyl]ethenyl]-1,6-dimethylbenzimidazol-2-amine;piperidine-2,6-dione (CID 172617334) is cyclopentane;1,3-difluoro-5-(6-methyl-5,8-dipropyldodecan-2-yl)benzene;ethane;N-[1-[2-(4-ethyl-1,6-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methyl-4-pyridinyl]ethenyl]-1,6-dimethylbenzimidazol-2-amine;piperidine-2,6-dione.
What is the SMILES notation for cyclopentane;1,3-difluoro-5-(6-methyl-5,8-dipropyldodecan-2-yl)benzene;ethane;N-[1-[2-(4-ethyl-1,6-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methyl-4-pyridinyl]ethenyl]-1,6-dimethylbenzimidazol-2-amine;piperidine-2,6-dione?
The canonical SMILES for cyclopentane;1,3-difluoro-5-(6-methyl-5,8-dipropyldodecan-2-yl)benzene;ethane;N-[1-[2-(4-ethyl-1,6-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methyl-4-pyridinyl]ethenyl]-1,6-dimethylbenzimidazol-2-amine;piperidine-2,6-dione is C1CCCC1.C=C(Nc1nc2ccc(C)cc2n1C)c1cc(C)nc(C2=C(CC)CC[N+](C)=C2C)c1.CC.CC.CC.CCCCC(CCC)CC(C)C(CCC)CCC(C)c1cc(F)cc(F)c1.O=C1CCCC(=O)N1.
What is the InChIKey of cyclopentane;1,3-difluoro-5-(6-methyl-5,8-dipropyldodecan-2-yl)benzene;ethane;N-[1-[2-(4-ethyl-1,6-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methyl-4-pyridinyl]ethenyl]-1,6-dimethylbenzimidazol-2-amine;piperidine-2,6-dione?
The InChIKey is NMWCSTBOJBOTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N5.C25H42F2.C5H7NO2.C5H10.3C2H6/c1-8-20-11-12-30(6)19(5)25(20)23-15-21(14-17(3)27-23)18(4)28-26-29-22-10-9-16(2)13-24(22)31(26)7;1-6-9-12-21(10-7-2)15-20(5)22(11-8-3)14-13-19(4)23-16-24(26)18-25(27)17-23;7-4-2-1-3-5(8)6-4;1-2-4-5-3-1;3*1-2/h9-10,13-15H,4,8,11-12H2,1-3,5-7H3,(H,28,29);16-22H,6-15H2,1-5H3;1-3H2,(H,6,7,8);1-5H2;3*1-2H3/q+1;;;;;;.
What are the key properties of cyclopentane;1,3-difluoro-5-(6-methyl-5,8-dipropyldodecan-2-yl)benzene;ethane;N-[1-[2-(4-ethyl-1,6-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methyl-4-pyridinyl]ethenyl]-1,6-dimethylbenzimidazol-2-amine;piperidine-2,6-dione?
cyclopentane;1,3-difluoro-5-(6-methyl-5,8-dipropyldodecan-2-yl)benzene;ethane;N-[1-[2-(4-ethyl-1,6-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methyl-4-pyridinyl]ethenyl]-1,6-dimethylbenzimidazol-2-amine;piperidine-2,6-dione has a molecular weight of 1068.64 g/mol, XLogP of 19.08, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;1,3-difluoro-5-(6-methyl-5,8-dipropyldodecan-2-yl)benzene;ethane;N-[1-[2-(4-ethyl-1,6-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methyl-4-pyridinyl]ethenyl]-1,6-dimethylbenzimidazol-2-amine;piperidine-2,6-dione is sourced from PubChem (CID 172617334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).