(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(4-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile

C161H266N42 — CID 158581487

IUPAC(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(4-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile
SMILES[C-]#[N+]/C(C#N)=C1\N(CCCN2CC(C)CC(C)C2)CCN1CCCN1CCCCC1C.[C-]#[N+]/C(C#N)=C1\N(CCCN2CCCC2)CCN1CCCN1CCCC1C.[C-]#[N+]/C(C#N)=C1\N(CCCN2CCCCC2)CCN1CCCN1CC(C)CC(C)C1.[C-]#[N+]/C(C#N)=C1\N(CCCN2CCCCC2)CCN1CCCN1CCC(C)CC1.[C-]#[N+]/C(C#N)=C1\N(CCCN2CCCCC2)CCN1CCCN1CCCC(C)C1.[C-]#[N+]/C(C#N)=C1\N(CCCN2CCCCC2)CCN1CCCN1CCCC1C.[C-]#[N+]/C(C#N)=C1\N(CCCN2CCCCC2)CCN1CCCN1CCCCC1C
InChIInChI=1S/C25H42N6.C24H40N6.3C23H38N6.C22H36N6.C21H34N6/c1-21-17-22(2)20-28(19-21)10-7-13-30-15-16-31(25(30)24(18-26)27-4)14-8-12-29-11-6-5-9-23(29)3;1-21-17-22(2)20-28(19-21)12-8-14-30-16-15-29(24(30)23(18-25)26-3)13-7-11-27-9-5-4-6-10-27;1-21-10-4-7-14-27(21)15-9-17-29-19-18-28(23(29)22(20-24)25-2)16-8-13-26-11-5-3-6-12-26;1-21-8-16-27(17-9-21)13-7-15-29-19-18-28(23(29)22(20-24)25-2)14-6-12-26-10-4-3-5-11-26;1-21-9-6-12-27(20-21)14-8-16-29-18-17-28(23(29)22(19-24)25-2)15-7-13-26-10-4-3-5-11-26;1-20-9-6-13-26(20)14-8-16-28-18-17-27(22(28)21(19-23)24-2)15-7-12-25-10-4-3-5-11-25;1-19-8-5-12-25(19)13-7-15-27-17-16-26(21(27)20(18-22)23-2)14-6-11-24-9-3-4-10-24/h21-23H,5-17,19-20H2,1-3H3;21-22H,4-17,19-20H2,1-2H3;2*21H,3-19H2,1H3;21H,3-18,20H2,1H3;20H,3-18H2,1H3;19H,3-17H2,1H3/b25-24+;24-23+;3*23-22+;22-21+;21-20+
InChIKeyHTHOQEDZEYHIFN-QGMZNXMUSA-N
MW2790.19 g/mol
LogP22.64
Rot. Bonds56

About (2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(4-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile

(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(4-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile (PubChem CID 158581487) has the molecular formula C161H266N42 and a molecular weight of 2790.19 g/mol. Its IUPAC name is (2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(4-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile.

Molecular Properties

Compound Name(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(4-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile
PubChem CID158581487
Molecular FormulaC161H266N42
Molecular Weight2790.19 g/mol
Exact Mass2788.21
IUPAC Name(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(4-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile
SMILES[C-]#[N+]/C(C#N)=C1\N(CCCN2CC(C)CC(C)C2)CCN1CCCN1CCCCC1C.[C-]#[N+]/C(C#N)=C1\N(CCCN2CCCC2)CCN1CCCN1CCCC1C.[C-]#[N+]/C(C#N)=C1\N(CCCN2CCCCC2)CCN1CCCN1CC(C)CC(C)C1.[C-]#[N+]/C(C#N)=C1\N(CCCN2CCCCC2)CCN1CCCN1CCC(C)CC1.[C-]#[N+]/C(C#N)=C1\N(CCCN2CCCCC2)CCN1CCCN1CCCC(C)C1.[C-]#[N+]/C(C#N)=C1\N(CCCN2CCCCC2)CCN1CCCN1CCCC1C.[C-]#[N+]/C(C#N)=C1\N(CCCN2CCCCC2)CCN1CCCN1CCCCC1C
InChIInChI=1S/C25H42N6.C24H40N6.3C23H38N6.C22H36N6.C21H34N6/c1-21-17-22(2)20-28(19-21)10-7-13-30-15-16-31(25(30)24(18-26)27-4)14-8-12-29-11-6-5-9-23(29)3;1-21-17-22(2)20-28(19-21)12-8-14-30-16-15-29(24(30)23(18-25)26-3)13-7-11-27-9-5-4-6-10-27;1-21-10-4-7-14-27(21)15-9-17-29-19-18-28(23(29)22(20-24)25-2)16-8-13-26-11-5-3-6-12-26;1-21-8-16-27(17-9-21)13-7-15-29-19-18-28(23(29)22(20-24)25-2)14-6-12-26-10-4-3-5-11-26;1-21-9-6-12-27(20-21)14-8-16-29-18-17-28(23(29)22(19-24)25-2)15-7-13-26-10-4-3-5-11-26;1-20-9-6-13-26(20)14-8-16-28-18-17-27(22(28)21(19-23)24-2)15-7-12-25-10-4-3-5-11-25;1-19-8-5-12-25(19)13-7-15-27-17-16-26(21(27)20(18-22)23-2)14-6-11-24-9-3-4-10-24/h21-23H,5-17,19-20H2,1-3H3;21-22H,4-17,19-20H2,1-2H3;2*21H,3-19H2,1H3;21H,3-18,20H2,1H3;20H,3-18H2,1H3;19H,3-17H2,1H3/b25-24+;24-23+;3*23-22+;22-21+;21-20+
InChIKeyHTHOQEDZEYHIFN-QGMZNXMUSA-N
XLogP22.64
TPSA287.77 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds56
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002790.19
LogP ≤ 522.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze (2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(4-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(4-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile?
The IUPAC name of (2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(4-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile (CID 158581487) is (2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(4-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile.
What is the SMILES notation for (2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(4-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile?
The canonical SMILES for (2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(4-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile is [C-]#[N+]/C(C#N)=C1\N(CCCN2CC(C)CC(C)C2)CCN1CCCN1CCCCC1C.[C-]#[N+]/C(C#N)=C1\N(CCCN2CCCC2)CCN1CCCN1CCCC1C.[C-]#[N+]/C(C#N)=C1\N(CCCN2CCCCC2)CCN1CCCN1CC(C)CC(C)C1.[C-]#[N+]/C(C#N)=C1\N(CCCN2CCCCC2)CCN1CCCN1CCC(C)CC1.[C-]#[N+]/C(C#N)=C1\N(CCCN2CCCCC2)CCN1CCCN1CCCC(C)C1.[C-]#[N+]/C(C#N)=C1\N(CCCN2CCCCC2)CCN1CCCN1CCCC1C.[C-]#[N+]/C(C#N)=C1\N(CCCN2CCCCC2)CCN1CCCN1CCCCC1C.
What is the InChIKey of (2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(4-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile?
The InChIKey is HTHOQEDZEYHIFN-QGMZNXMUSA-N. The full InChI is InChI=1S/C25H42N6.C24H40N6.3C23H38N6.C22H36N6.C21H34N6/c1-21-17-22(2)20-28(19-21)10-7-13-30-15-16-31(25(30)24(18-26)27-4)14-8-12-29-11-6-5-9-23(29)3;1-21-17-22(2)20-28(19-21)12-8-14-30-16-15-29(24(30)23(18-25)26-3)13-7-11-27-9-5-4-6-10-27;1-21-10-4-7-14-27(21)15-9-17-29-19-18-28(23(29)22(20-24)25-2)16-8-13-26-11-5-3-6-12-26;1-21-8-16-27(17-9-21)13-7-15-29-19-18-28(23(29)22(20-24)25-2)14-6-12-26-10-4-3-5-11-26;1-21-9-6-12-27(20-21)14-8-16-29-18-17-28(23(29)22(19-24)25-2)15-7-13-26-10-4-3-5-11-26;1-20-9-6-13-26(20)14-8-16-28-18-17-27(22(28)21(19-23)24-2)15-7-12-25-10-4-3-5-11-25;1-19-8-5-12-25(19)13-7-15-27-17-16-26(21(27)20(18-22)23-2)14-6-11-24-9-3-4-10-24/h21-23H,5-17,19-20H2,1-3H3;21-22H,4-17,19-20H2,1-2H3;2*21H,3-19H2,1H3;21H,3-18,20H2,1H3;20H,3-18H2,1H3;19H,3-17H2,1H3/b25-24+;24-23+;3*23-22+;22-21+;21-20+.
What are the key properties of (2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(4-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile?
(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(4-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile has a molecular weight of 2790.19 g/mol, XLogP of 22.64, 56 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-[1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(4-methylpiperidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-piperidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile;(2E)-2-isocyano-2-[1-[3-(2-methylpyrrolidin-1-yl)propyl]-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-2-ylidene]acetonitrile is sourced from PubChem (CID 158581487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).