2-[4-(cycloheptanecarbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-[4-[6-(cycloheptylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-cycloheptyl-2-[4-(cyclohexene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide

C169H199N25O13 — CID 158019946

About 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-[4-[6-(cycloheptylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-cycloheptyl-2-[4-(cyclohexene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-(cycloheptanecarbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-[4-[6-(cycloheptylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-cycloheptyl-2-[4-(cyclohexene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 158019946) has the molecular formula C169H199N25O13 and a molecular weight of 2788.61 g/mol. Its IUPAC name is 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-[4-[6-(cycloheptylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-cycloheptyl-2-[4-(cyclohexene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-[4-[6-(cycloheptylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-cycloheptyl-2-[4-(cyclohexene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
• PubChem CID: 158019946
• Molecular Formula: C169H199N25O13
• Molecular Weight: 2788.61 g/mol
• Exact Mass: 2786.57
• IUPAC Name: 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-[4-[6-(cycloheptylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-cycloheptyl-2-[4-(cyclohexene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
• SMILES: CC1CCC(C(=O)Nc2ccc(-c3nc4ccc(C(=O)NC5CCCCCC5)cc4[nH]3)cc2)CC1.CC1CCCCC1C(=O)Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1.Cc1cc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)NC5CCCCCC5)cc4[nH]3)cc2)no1.O=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CC=CCC4)cc3)[nH]c2c1.O=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]c2c1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1)C1=CCCCC1
• InChI: InChI=1S/3C29H36N4O2.2C28H32N4O2.C26H27N5O3/c1-19-8-6-7-11-24(19)29(35)31-23-15-12-20(13-16-23)27-32-25-17-14-21(18-26(25)33-27)28(34)30-22-9-4-2-3-5-10-22;1-19-8-10-21(11-9-19)28(34)31-24-15-12-20(13-16-24)27-32-25-17-14-22(18-26(25)33-27)29(35)30-23-6-4-2-3-5-7-23;34-28(21-9-5-1-2-6-10-21)31-24-16-13-20(14-17-24)27-32-25-18-15-22(19-26(25)33-27)29(35)30-23-11-7-3-4-8-12-23;2*33-27(20-8-4-3-5-9-20)30-23-15-12-19(13-16-23)26-31-24-17-14-21(18-25(24)32-26)28(34)29-22-10-6-1-2-7-11-22;1-16-14-23(31-34-16)26(33)28-20-11-8-17(9-12-20)24-29-21-13-10-18(15-22(21)30-24)25(32)27-19-6-4-2-3-5-7-19/h12-19,22,24H,2-11H2,1H3,(H,30,34)(H,31,35)(H,32,33);12-19,21,23H,2-11H2,1H3,(H,30,35)(H,31,34)(H,32,33);13-19,21,23H,1-12H2,(H,30,35)(H,31,34)(H,32,33);8,12-18,22H,1-7,9-11H2,(H,29,34)(H,30,33)(H,31,32);3-4,12-18,20,22H,1-2,5-11H2,(H,29,34)(H,30,33)(H,31,32);8-15,19H,2-7H2,1H3,(H,27,32)(H,28,33)(H,29,30)
• InChIKey: FFXZQDPFTPNWFH-UHFFFAOYSA-N
• XLogP: 36.82
• TPSA: 547.31 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 20
• Rotatable Bonds: 30
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2788.61
LogP ≤ 5	36.82
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-[4-[6-(cycloheptylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-cycloheptyl-2-[4-(cyclohexene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?

The IUPAC name of 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-[4-[6-(cycloheptylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-cycloheptyl-2-[4-(cyclohexene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide (CID 158019946) is 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-[4-[6-(cycloheptylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-cycloheptyl-2-[4-(cyclohexene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-[4-[6-(cycloheptylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-cycloheptyl-2-[4-(cyclohexene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?

The canonical SMILES for 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-[4-[6-(cycloheptylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-cycloheptyl-2-[4-(cyclohexene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide is CC1CCC(C(=O)Nc2ccc(-c3nc4ccc(C(=O)NC5CCCCCC5)cc4[nH]3)cc2)CC1.CC1CCCCC1C(=O)Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1.Cc1cc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)NC5CCCCCC5)cc4[nH]3)cc2)no1.O=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CC=CCC4)cc3)[nH]c2c1.O=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]c2c1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1)C1=CCCCC1.

What is the InChIKey of 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-[4-[6-(cycloheptylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-cycloheptyl-2-[4-(cyclohexene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?

The InChIKey is FFXZQDPFTPNWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C29H36N4O2.2C28H32N4O2.C26H27N5O3/c1-19-8-6-7-11-24(19)29(35)31-23-15-12-20(13-16-23)27-32-25-17-14-21(18-26(25)33-27)28(34)30-22-9-4-2-3-5-10-22;1-19-8-10-21(11-9-19)28(34)31-24-15-12-20(13-16-24)27-32-25-17-14-22(18-26(25)33-27)29(35)30-23-6-4-2-3-5-7-23;34-28(21-9-5-1-2-6-10-21)31-24-16-13-20(14-17-24)27-32-25-18-15-22(19-26(25)33-27)29(35)30-23-11-7-3-4-8-12-23;2*33-27(20-8-4-3-5-9-20)30-23-15-12-19(13-16-23)26-31-24-17-14-21(18-25(24)32-26)28(34)29-22-10-6-1-2-7-11-22;1-16-14-23(31-34-16)26(33)28-20-11-8-17(9-12-20)24-29-21-13-10-18(15-22(21)30-24)25(32)27-19-6-4-2-3-5-7-19/h12-19,22,24H,2-11H2,1H3,(H,30,34)(H,31,35)(H,32,33);12-19,21,23H,2-11H2,1H3,(H,30,35)(H,31,34)(H,32,33);13-19,21,23H,1-12H2,(H,30,35)(H,31,34)(H,32,33);8,12-18,22H,1-7,9-11H2,(H,29,34)(H,30,33)(H,31,32);3-4,12-18,20,22H,1-2,5-11H2,(H,29,34)(H,30,33)(H,31,32);8-15,19H,2-7H2,1H3,(H,27,32)(H,28,33)(H,29,30).

What are the key properties of 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-[4-[6-(cycloheptylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-cycloheptyl-2-[4-(cyclohexene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?

2-[4-(cycloheptanecarbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-[4-[6-(cycloheptylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-cycloheptyl-2-[4-(cyclohexene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 2788.61 g/mol, XLogP of 36.82, 30 rotatable bonds, 18 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-[4-[6-(cycloheptylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-cycloheptyl-2-[4-(cyclohexene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 158019946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).