N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane;hydrochloride

C75H104ClN11O7 — CID 160611424

About N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane;hydrochloride

N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane;hydrochloride (PubChem CID 160611424) has the molecular formula C75H104ClN11O7 and a molecular weight of 1307.18 g/mol. Its IUPAC name is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane;hydrochloride.

Molecular Properties

• Compound Name: N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane;hydrochloride
• PubChem CID: 160611424
• Molecular Formula: C75H104ClN11O7
• Molecular Weight: 1307.18 g/mol
• Exact Mass: 1305.78
• IUPAC Name: N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane;hydrochloride
• SMILES: C.C#Cc1cnc(C(=O)Nc2ccc(CC(=O)NCCCO)cc2C2=CCC(C)(C)CC2)[nH]1.CCN(C)CCCc1ccc(NC(=O)c2ccc(C)o2)c(N2CCC(C)CC2)c1.Cc1cnc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cl
• InChI: InChI=1S/C25H30N4O3.C25H34N4O2.C24H35N3O2.CH4.ClH/c1-4-19-16-27-23(28-19)24(32)29-21-7-6-17(15-22(31)26-12-5-13-30)14-20(21)18-8-10-25(2,3)11-9-18;1-18-17-26-23(27-18)24(30)28-22-5-4-19(8-11-29-12-14-31-15-13-29)16-21(22)20-6-9-25(2,3)10-7-20;1-5-26(4)14-6-7-20-9-10-21(25-24(28)23-11-8-19(3)29-23)22(17-20)27-15-12-18(2)13-16-27;;/h1,6-8,14,16,30H,5,9-13,15H2,2-3H3,(H,26,31)(H,27,28)(H,29,32);4-6,16-17H,7-15H2,1-3H3,(H,26,27)(H,28,30);8-11,17-18H,5-7,12-16H2,1-4H3,(H,25,28);1H4;1H
• InChIKey: FBAFWMSFRBFPTJ-UHFFFAOYSA-N
• XLogP: 13.74
• TPSA: 226.08 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1307.18
LogP ≤ 5	13.74
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane;hydrochloride?

The IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane;hydrochloride (CID 160611424) is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane;hydrochloride.

What is the SMILES notation for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane;hydrochloride?

The canonical SMILES for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane;hydrochloride is C.C#Cc1cnc(C(=O)Nc2ccc(CC(=O)NCCCO)cc2C2=CCC(C)(C)CC2)[nH]1.CCN(C)CCCc1ccc(NC(=O)c2ccc(C)o2)c(N2CCC(C)CC2)c1.Cc1cnc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cl.

What is the InChIKey of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane;hydrochloride?

The InChIKey is FBAFWMSFRBFPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3.C25H34N4O2.C24H35N3O2.CH4.ClH/c1-4-19-16-27-23(28-19)24(32)29-21-7-6-17(15-22(31)26-12-5-13-30)14-20(21)18-8-10-25(2,3)11-9-18;1-18-17-26-23(27-18)24(30)28-22-5-4-19(8-11-29-12-14-31-15-13-29)16-21(22)20-6-9-25(2,3)10-7-20;1-5-26(4)14-6-7-20-9-10-21(25-24(28)23-11-8-19(3)29-23)22(17-20)27-15-12-18(2)13-16-27;;/h1,6-8,14,16,30H,5,9-13,15H2,2-3H3,(H,26,31)(H,27,28)(H,29,32);4-6,16-17H,7-15H2,1-3H3,(H,26,27)(H,28,30);8-11,17-18H,5-7,12-16H2,1-4H3,(H,25,28);1H4;1H.

What are the key properties of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane;hydrochloride?

N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane;hydrochloride has a molecular weight of 1307.18 g/mol, XLogP of 13.74, 22 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane;hydrochloride is sourced from PubChem (CID 160611424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).