N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-methoxyethylamino)cyclohexyl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide

C109H140N16O8 — CID 158021170

About N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-methoxyethylamino)cyclohexyl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide

N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-methoxyethylamino)cyclohexyl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 158021170) has the molecular formula C109H140N16O8 and a molecular weight of 1802.42 g/mol. Its IUPAC name is N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-methoxyethylamino)cyclohexyl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-methoxyethylamino)cyclohexyl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
• PubChem CID: 158021170
• Molecular Formula: C109H140N16O8
• Molecular Weight: 1802.42 g/mol
• Exact Mass: 1801.10
• IUPAC Name: N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-methoxyethylamino)cyclohexyl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
• SMILES: C#Cc1cnc(C(=O)Nc2ccc(C3(C(=O)O)CCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(N4CCN(CC)CC4)CCCC3)nc2C2=CCC(C)(C)CC2)[nH]1.COCCNC1(c2ccc(NC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)CCCCC1.Cc1cnc(C(=O)Nc2ccc(C3CCC(=O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1
• InChI: InChI=1S/C30H40N6O.C28H40N4O2.C26H29N3O3.C25H31N3O2/c1-5-23-21-31-27(32-23)28(37)33-24-9-10-25(34-26(24)22-11-15-29(3,4)16-12-22)30(13-7-8-14-30)36-19-17-35(6-2)18-20-36;1-20-19-29-25(31-20)26(33)32-24-9-8-22(18-23(24)21-10-14-27(2,3)15-11-21)28(30-16-17-34-4)12-6-5-7-13-28;1-4-19-16-27-22(28-19)23(30)29-21-8-7-18(26(24(31)32)11-5-6-12-26)15-20(21)17-9-13-25(2,3)14-10-17;1-16-15-26-23(27-16)24(30)28-22-9-6-19(17-4-7-20(29)8-5-17)14-21(22)18-10-12-25(2,3)13-11-18/h1,9-11,21H,6-8,12-20H2,2-4H3,(H,31,32)(H,33,37);8-10,18-19,30H,5-7,11-17H2,1-4H3,(H,29,31)(H,32,33);1,7-9,15-16H,5-6,10-14H2,2-3H3,(H,27,28)(H,29,30)(H,31,32);6,9-10,14-15,17H,4-5,7-8,11-13H2,1-3H3,(H,26,27)(H,28,30)
• InChIKey: FGBQOLNKWZGYMI-UHFFFAOYSA-N
• XLogP: 21.92
• TPSA: 326.12 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 15
• Rotatable Bonds: 23
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1802.42
LogP ≤ 5	21.92
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	15

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)-6-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-methoxyethylamino)cyclohexyl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?

The IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-methoxyethylamino)cyclohexyl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide (CID 158021170) is N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-methoxyethylamino)cyclohexyl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide.

What is the SMILES notation for N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-methoxyethylamino)cyclohexyl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?

The canonical SMILES for N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-methoxyethylamino)cyclohexyl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide is C#Cc1cnc(C(=O)Nc2ccc(C3(C(=O)O)CCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(N4CCN(CC)CC4)CCCC3)nc2C2=CCC(C)(C)CC2)[nH]1.COCCNC1(c2ccc(NC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)CCCCC1.Cc1cnc(C(=O)Nc2ccc(C3CCC(=O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.

What is the InChIKey of N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-methoxyethylamino)cyclohexyl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?

The InChIKey is FGBQOLNKWZGYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O.C28H40N4O2.C26H29N3O3.C25H31N3O2/c1-5-23-21-31-27(32-23)28(37)33-24-9-10-25(34-26(24)22-11-15-29(3,4)16-12-22)30(13-7-8-14-30)36-19-17-35(6-2)18-20-36;1-20-19-29-25(31-20)26(33)32-24-9-8-22(18-23(24)21-10-14-27(2,3)15-11-21)28(30-16-17-34-4)12-6-5-7-13-28;1-4-19-16-27-22(28-19)23(30)29-21-8-7-18(26(24(31)32)11-5-6-12-26)15-20(21)17-9-13-25(2,3)14-10-17;1-16-15-26-23(27-16)24(30)28-22-9-6-19(17-4-7-20(29)8-5-17)14-21(22)18-10-12-25(2,3)13-11-18/h1,9-11,21H,6-8,12-20H2,2-4H3,(H,31,32)(H,33,37);8-10,18-19,30H,5-7,11-17H2,1-4H3,(H,29,31)(H,32,33);1,7-9,15-16H,5-6,10-14H2,2-3H3,(H,27,28)(H,29,30)(H,31,32);6,9-10,14-15,17H,4-5,7-8,11-13H2,1-3H3,(H,26,27)(H,28,30).

What are the key properties of N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-methoxyethylamino)cyclohexyl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?

N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-methoxyethylamino)cyclohexyl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 1802.42 g/mol, XLogP of 21.92, 23 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-methoxyethylamino)cyclohexyl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 158021170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).