N-[4-(2-acetamidopropan-2-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[2-(carbamoylamino)propan-2-yl]-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N'-[2-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]oxamide;N-[2-(cyclohexen-1-yl)-4-[2-(2-hydroxyethylcarbamoylamino)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-5-ethynyl-1H-imidazole-2-carboxamide

C135H152N26O14S — CID 157446648

About N-[4-(2-acetamidopropan-2-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[2-(carbamoylamino)propan-2-yl]-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N'-[2-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]oxamide;N-[2-(cyclohexen-1-yl)-4-[2-(2-hydroxyethylcarbamoylamino)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-5-ethynyl-1H-imidazole-2-carboxamide

N-[4-(2-acetamidopropan-2-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[2-(carbamoylamino)propan-2-yl]-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N'-[2-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]oxamide;N-[2-(cyclohexen-1-yl)-4-[2-(2-hydroxyethylcarbamoylamino)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-5-ethynyl-1H-imidazole-2-carboxamide (PubChem CID 157446648) has the molecular formula C135H152N26O14S and a molecular weight of 2394.94 g/mol. Its IUPAC name is N-[4-(2-acetamidopropan-2-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[2-(carbamoylamino)propan-2-yl]-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N'-[2-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]oxamide;N-[2-(cyclohexen-1-yl)-4-[2-(2-hydroxyethylcarbamoylamino)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-5-ethynyl-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2-acetamidopropan-2-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[2-(carbamoylamino)propan-2-yl]-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N'-[2-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]oxamide;N-[2-(cyclohexen-1-yl)-4-[2-(2-hydroxyethylcarbamoylamino)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-5-ethynyl-1H-imidazole-2-carboxamide
• PubChem CID: 157446648
• Molecular Formula: C135H152N26O14S
• Molecular Weight: 2394.94 g/mol
• Exact Mass: 2393.17
• IUPAC Name: N-[4-(2-acetamidopropan-2-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[2-(carbamoylamino)propan-2-yl]-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N'-[2-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]oxamide;N-[2-(cyclohexen-1-yl)-4-[2-(2-hydroxyethylcarbamoylamino)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-5-ethynyl-1H-imidazole-2-carboxamide
• SMILES: C#Cc1cnc(C(=O)Nc2ccc(C(=C)C)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(C)(C)NC(=O)C(N)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(C)(C)NC(=O)NCCO)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(C)(C)NC(C)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(C)(C)NC(N)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(C)(C)NS(C)(=O)=O)cc2C2=CCCCC2)[nH]1
• InChI: InChI=1S/C24H29N5O3.C23H25N5O3.C23H26N4O2.C22H25N5O2.C22H26N4O3S.C21H21N3O/c1-4-18-15-26-21(27-18)22(31)28-20-11-10-17(14-19(20)16-8-6-5-7-9-16)24(2,3)29-23(32)25-12-13-30;1-4-16-13-25-20(26-16)22(31)27-18-11-10-15(23(2,3)28-21(30)19(24)29)12-17(18)14-8-6-5-7-9-14;1-5-18-14-24-21(25-18)22(29)26-20-12-11-17(23(3,4)27-15(2)28)13-19(20)16-9-7-6-8-10-16;1-4-16-13-24-19(25-16)20(28)26-18-11-10-15(22(2,3)27-21(23)29)12-17(18)14-8-6-5-7-9-14;1-5-17-14-23-20(24-17)21(27)25-19-12-11-16(22(2,3)26-30(4,28)29)13-18(19)15-9-7-6-8-10-15;1-4-17-13-22-20(23-17)21(25)24-19-11-10-16(14(2)3)12-18(19)15-8-6-5-7-9-15/h1,8,10-11,14-15,30H,5-7,9,12-13H2,2-3H3,(H,26,27)(H,28,31)(H2,25,29,32);1,8,10-13H,5-7,9H2,2-3H3,(H2,24,29)(H,25,26)(H,27,31)(H,28,30);1,9,11-14H,6-8,10H2,2-4H3,(H,24,25)(H,26,29)(H,27,28);1,8,10-13H,5-7,9H2,2-3H3,(H,24,25)(H,26,28)(H3,23,27,29);1,9,11-14,26H,6-8,10H2,2-4H3,(H,23,24)(H,25,27);1,8,10-13H,2,5-7,9H2,3H3,(H,22,23)(H,24,25)
• InChIKey: BSHNLKFZNLBOPN-UHFFFAOYSA-N
• XLogP: 21.06
• TPSA: 610.62 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 20
• Rotatable Bonds: 32
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2394.94
LogP ≤ 5	21.06
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetamidopropan-2-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[2-(carbamoylamino)propan-2-yl]-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N'-[2-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]oxamide;N-[2-(cyclohexen-1-yl)-4-[2-(2-hydroxyethylcarbamoylamino)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-5-ethynyl-1H-imidazole-2-carboxamide?

The IUPAC name of N-[4-(2-acetamidopropan-2-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[2-(carbamoylamino)propan-2-yl]-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N'-[2-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]oxamide;N-[2-(cyclohexen-1-yl)-4-[2-(2-hydroxyethylcarbamoylamino)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-5-ethynyl-1H-imidazole-2-carboxamide (CID 157446648) is N-[4-(2-acetamidopropan-2-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[2-(carbamoylamino)propan-2-yl]-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N'-[2-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]oxamide;N-[2-(cyclohexen-1-yl)-4-[2-(2-hydroxyethylcarbamoylamino)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-5-ethynyl-1H-imidazole-2-carboxamide.

What is the SMILES notation for N-[4-(2-acetamidopropan-2-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[2-(carbamoylamino)propan-2-yl]-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N'-[2-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]oxamide;N-[2-(cyclohexen-1-yl)-4-[2-(2-hydroxyethylcarbamoylamino)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-5-ethynyl-1H-imidazole-2-carboxamide?

The canonical SMILES for N-[4-(2-acetamidopropan-2-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[2-(carbamoylamino)propan-2-yl]-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N'-[2-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]oxamide;N-[2-(cyclohexen-1-yl)-4-[2-(2-hydroxyethylcarbamoylamino)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-5-ethynyl-1H-imidazole-2-carboxamide is C#Cc1cnc(C(=O)Nc2ccc(C(=C)C)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(C)(C)NC(=O)C(N)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(C)(C)NC(=O)NCCO)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(C)(C)NC(C)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(C)(C)NC(N)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(C)(C)NS(C)(=O)=O)cc2C2=CCCCC2)[nH]1.

What is the InChIKey of N-[4-(2-acetamidopropan-2-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[2-(carbamoylamino)propan-2-yl]-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N'-[2-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]oxamide;N-[2-(cyclohexen-1-yl)-4-[2-(2-hydroxyethylcarbamoylamino)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-5-ethynyl-1H-imidazole-2-carboxamide?

The InChIKey is BSHNLKFZNLBOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3.C23H25N5O3.C23H26N4O2.C22H25N5O2.C22H26N4O3S.C21H21N3O/c1-4-18-15-26-21(27-18)22(31)28-20-11-10-17(14-19(20)16-8-6-5-7-9-16)24(2,3)29-23(32)25-12-13-30;1-4-16-13-25-20(26-16)22(31)27-18-11-10-15(23(2,3)28-21(30)19(24)29)12-17(18)14-8-6-5-7-9-14;1-5-18-14-24-21(25-18)22(29)26-20-12-11-17(23(3,4)27-15(2)28)13-19(20)16-9-7-6-8-10-16;1-4-16-13-24-19(25-16)20(28)26-18-11-10-15(22(2,3)27-21(23)29)12-17(18)14-8-6-5-7-9-14;1-5-17-14-23-20(24-17)21(27)25-19-12-11-16(22(2,3)26-30(4,28)29)13-18(19)15-9-7-6-8-10-15;1-4-17-13-22-20(23-17)21(25)24-19-11-10-16(14(2)3)12-18(19)15-8-6-5-7-9-15/h1,8,10-11,14-15,30H,5-7,9,12-13H2,2-3H3,(H,26,27)(H,28,31)(H2,25,29,32);1,8,10-13H,5-7,9H2,2-3H3,(H2,24,29)(H,25,26)(H,27,31)(H,28,30);1,9,11-14H,6-8,10H2,2-4H3,(H,24,25)(H,26,29)(H,27,28);1,8,10-13H,5-7,9H2,2-3H3,(H,24,25)(H,26,28)(H3,23,27,29);1,9,11-14,26H,6-8,10H2,2-4H3,(H,23,24)(H,25,27);1,8,10-13H,2,5-7,9H2,3H3,(H,22,23)(H,24,25).

What are the key properties of N-[4-(2-acetamidopropan-2-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[2-(carbamoylamino)propan-2-yl]-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N'-[2-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]oxamide;N-[2-(cyclohexen-1-yl)-4-[2-(2-hydroxyethylcarbamoylamino)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-5-ethynyl-1H-imidazole-2-carboxamide?

N-[4-(2-acetamidopropan-2-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[2-(carbamoylamino)propan-2-yl]-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N'-[2-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]oxamide;N-[2-(cyclohexen-1-yl)-4-[2-(2-hydroxyethylcarbamoylamino)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-5-ethynyl-1H-imidazole-2-carboxamide has a molecular weight of 2394.94 g/mol, XLogP of 21.06, 32 rotatable bonds, 21 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-acetamidopropan-2-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[2-(carbamoylamino)propan-2-yl]-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N'-[2-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]oxamide;N-[2-(cyclohexen-1-yl)-4-[2-(2-hydroxyethylcarbamoylamino)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)propan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-5-ethynyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 157446648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).