2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2-(diethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;bis(2,2,2-trifluoroacetic acid)

C56H72F6N10O10 — CID 173031410

IUPAC2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2-(diethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)c1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1NC(=O)CNC(C)(C)C.CCN(CC)CC(=O)Nc1cc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)ccc1C(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/2C26H35N5O3.2C2HF3O2/c1-17(2)20-9-8-19(14-21(20)29-22(32)15-28-25(3,4)5)31-23(33)26(6,7)30(24(31)34)16-18-10-12-27-13-11-18;1-7-29(8-2)17-23(32)28-22-15-20(9-10-21(22)18(3)4)31-24(33)26(5,6)30(25(31)34)16-19-11-13-27-14-12-19;2*3-2(4,5)1(6)7/h8-14,17,28H,15-16H2,1-7H3,(H,29,32);9-15,18H,7-8,16-17H2,1-6H3,(H,28,32);2*(H,6,7)
InChIKeyVGKPZDHUQRMREY-UHFFFAOYSA-N
MW1159.24 g/mol
LogP9.78
Rot. Bonds16

About 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2-(diethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;bis(2,2,2-trifluoroacetic acid)

2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2-(diethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 173031410) has the molecular formula C56H72F6N10O10 and a molecular weight of 1159.24 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2-(diethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2-(diethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID173031410
Molecular FormulaC56H72F6N10O10
Molecular Weight1159.24 g/mol
Exact Mass1158.53
IUPAC Name2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2-(diethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)c1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1NC(=O)CNC(C)(C)C.CCN(CC)CC(=O)Nc1cc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)ccc1C(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/2C26H35N5O3.2C2HF3O2/c1-17(2)20-9-8-19(14-21(20)29-22(32)15-28-25(3,4)5)31-23(33)26(6,7)30(24(31)34)16-18-10-12-27-13-11-18;1-7-29(8-2)17-23(32)28-22-15-20(9-10-21(22)18(3)4)31-24(33)26(5,6)30(25(31)34)16-19-11-13-27-14-12-19;2*3-2(4,5)1(6)7/h8-14,17,28H,15-16H2,1-7H3,(H,29,32);9-15,18H,7-8,16-17H2,1-6H3,(H,28,32);2*(H,6,7)
InChIKeyVGKPZDHUQRMREY-UHFFFAOYSA-N
XLogP9.78
TPSA255.09 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001159.24
LogP ≤ 59.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2-(diethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;bis(2,2,2-trifluoroacetic acid) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2-(diethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2-(diethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;bis(2,2,2-trifluoroacetic acid) (CID 173031410) is 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2-(diethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2-(diethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2-(diethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;bis(2,2,2-trifluoroacetic acid) is CC(C)c1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1NC(=O)CNC(C)(C)C.CCN(CC)CC(=O)Nc1cc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)ccc1C(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2-(diethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is VGKPZDHUQRMREY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H35N5O3.2C2HF3O2/c1-17(2)20-9-8-19(14-21(20)29-22(32)15-28-25(3,4)5)31-23(33)26(6,7)30(24(31)34)16-18-10-12-27-13-11-18;1-7-29(8-2)17-23(32)28-22-15-20(9-10-21(22)18(3)4)31-24(33)26(5,6)30(25(31)34)16-19-11-13-27-14-12-19;2*3-2(4,5)1(6)7/h8-14,17,28H,15-16H2,1-7H3,(H,29,32);9-15,18H,7-8,16-17H2,1-6H3,(H,28,32);2*(H,6,7).
What are the key properties of 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2-(diethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;bis(2,2,2-trifluoroacetic acid)?
2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2-(diethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 1159.24 g/mol, XLogP of 9.78, 16 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2-(diethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 173031410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).