N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(dimethylamino)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)propyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide

C130H170N28O8 — CID 157439144

About N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(dimethylamino)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)propyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide

N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(dimethylamino)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)propyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide (PubChem CID 157439144) has the molecular formula C130H170N28O8 and a molecular weight of 2252.98 g/mol. Its IUPAC name is N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(dimethylamino)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)propyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(dimethylamino)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)propyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide
• PubChem CID: 157439144
• Molecular Formula: C130H170N28O8
• Molecular Weight: 2252.98 g/mol
• Exact Mass: 2251.38
• IUPAC Name: N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(dimethylamino)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)propyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide
• SMILES: [C-]#[N+]c1c[nH]c(C(=O)Nc2ccc(C(C)(C)OCCN(C)C)cc2N2CCC(C)CC2)c1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C(C)(C)OCCN(C)C)cc2N2CCC(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C(C)N(C)C)cc2C2=CCC3(CCCC3)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C(C)N3CCN(CC)CC3)cc2C2=CCC3(CCCC3)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C(CC)OCCn3ccnc3)cc2C2=CCC(C)(C)CC2)[nH]1
• InChI: InChI=1S/C29H38N6O.C27H32N6O2.C25H35N5O2.C25H31N5O.C24H34N6O2/c1-4-34-15-17-35(18-16-34)21(2)23-7-8-25(32-28(36)27-31-20-26(30-3)33-27)24(19-23)22-9-13-29(14-10-22)11-5-6-12-29;1-5-23(35-15-14-33-13-12-29-18-33)20-6-7-22(31-26(34)25-30-17-24(28-4)32-25)21(16-20)19-8-10-27(2,3)11-9-19;1-18-9-11-30(12-10-18)23-15-19(25(2,3)32-14-13-29(5)6)7-8-21(23)28-24(31)22-16-20(26-4)17-27-22;1-17(30(3)4)19-7-8-21(28-24(31)23-27-16-22(26-2)29-23)20(15-19)18-9-13-25(14-10-18)11-5-6-12-25;1-17-9-11-30(12-10-17)20-15-18(24(2,3)32-14-13-29(5)6)7-8-19(20)27-23(31)22-26-16-21(25-4)28-22/h7-9,19-21H,4-6,10-18H2,1-2H3,(H,31,33)(H,32,36);6-8,12-13,16-18,23H,5,9-11,14-15H2,1-3H3,(H,30,32)(H,31,34);7-8,15-18,27H,9-14H2,1-3,5-6H3,(H,28,31);7-9,15-17H,5-6,10-14H2,1,3-4H3,(H,27,29)(H,28,31);7-8,15-17H,9-14H2,1-3,5-6H3,(H,26,28)(H,27,31)
• InChIKey: BRLPKEGBCAYELU-UHFFFAOYSA-N
• XLogP: 27.30
• TPSA: 366.00 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 36
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2252.98
LogP ≤ 5	27.30
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(dimethylamino)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)propyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide?

The IUPAC name of N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(dimethylamino)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)propyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide (CID 157439144) is N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(dimethylamino)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)propyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide.

What is the SMILES notation for N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(dimethylamino)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)propyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide?

The canonical SMILES for N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(dimethylamino)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)propyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide is [C-]#[N+]c1c[nH]c(C(=O)Nc2ccc(C(C)(C)OCCN(C)C)cc2N2CCC(C)CC2)c1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C(C)(C)OCCN(C)C)cc2N2CCC(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C(C)N(C)C)cc2C2=CCC3(CCCC3)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C(C)N3CCN(CC)CC3)cc2C2=CCC3(CCCC3)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C(CC)OCCn3ccnc3)cc2C2=CCC(C)(C)CC2)[nH]1.

What is the InChIKey of N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(dimethylamino)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)propyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide?

The InChIKey is BRLPKEGBCAYELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O.C27H32N6O2.C25H35N5O2.C25H31N5O.C24H34N6O2/c1-4-34-15-17-35(18-16-34)21(2)23-7-8-25(32-28(36)27-31-20-26(30-3)33-27)24(19-23)22-9-13-29(14-10-22)11-5-6-12-29;1-5-23(35-15-14-33-13-12-29-18-33)20-6-7-22(31-26(34)25-30-17-24(28-4)32-25)21(16-20)19-8-10-27(2,3)11-9-19;1-18-9-11-30(12-10-18)23-15-19(25(2,3)32-14-13-29(5)6)7-8-21(23)28-24(31)22-16-20(26-4)17-27-22;1-17(30(3)4)19-7-8-21(28-24(31)23-27-16-22(26-2)29-23)20(15-19)18-9-13-25(14-10-18)11-5-6-12-25;1-17-9-11-30(12-10-17)20-15-18(24(2,3)32-14-13-29(5)6)7-8-19(20)27-23(31)22-26-16-21(25-4)28-22/h7-9,19-21H,4-6,10-18H2,1-2H3,(H,31,33)(H,32,36);6-8,12-13,16-18,23H,5,9-11,14-15H2,1-3H3,(H,30,32)(H,31,34);7-8,15-18,27H,9-14H2,1-3,5-6H3,(H,28,31);7-9,15-17H,5-6,10-14H2,1,3-4H3,(H,27,29)(H,28,31);7-8,15-17H,9-14H2,1-3,5-6H3,(H,26,28)(H,27,31).

What are the key properties of N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(dimethylamino)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)propyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide?

N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(dimethylamino)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)propyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide has a molecular weight of 2252.98 g/mol, XLogP of 27.30, 36 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(dimethylamino)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)propyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide is sourced from PubChem (CID 157439144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).