2-[4-(adamantane-1-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide

C171H193ClN24O12 — CID 157172248

IUPAC2-[4-(adamantane-1-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc(-c3nc4ccc(C(=O)NC5CCCCC5)cc4[nH]3)cc2)CC1.O=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)[nH]c2c1.O=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1)c1ccc(Cl)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1)c1ccccc1
InChIInChI=1S/C32H38N4O2.C28H27ClN4O2.2C28H34N4O2.C28H28N4O2.C27H32N4O2/c37-30(33-25-5-3-1-2-4-6-25)24-9-12-27-28(16-24)36-29(35-27)23-7-10-26(11-8-23)34-31(38)32-17-20-13-21(18-32)15-22(14-20)19-32;29-21-12-7-19(8-13-21)27(34)31-23-14-9-18(10-15-23)26-32-24-16-11-20(17-25(24)33-26)28(35)30-22-5-3-1-2-4-6-22;1-18-7-9-20(10-8-18)27(33)30-23-14-11-19(12-15-23)26-31-24-16-13-21(17-25(24)32-26)28(34)29-22-5-3-2-4-6-22;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;32-26(19-7-5-6-8-19)29-22-14-11-18(12-15-22)25-30-23-16-13-20(17-24(23)31-25)27(33)28-21-9-3-1-2-4-10-21/h7-12,16,20-22,25H,1-6,13-15,17-19H2,(H,33,37)(H,34,38)(H,35,36);7-17,22H,1-6H2,(H,30,35)(H,31,34)(H,32,33);11-18,20,22H,2-10H2,1H3,(H,29,34)(H,30,33)(H,31,32);12-18,20,22H,1-11H2,(H,29,34)(H,30,33)(H,31,32);3-5,8-9,12-18,22H,1-2,6-7,10-11H2,(H,29,34)(H,30,33)(H,31,32);11-17,19,21H,1-10H2,(H,28,33)(H,29,32)(H,30,31)
InChIKeyANPJIEDXVZPTTL-UHFFFAOYSA-N
MW2812.03 g/mol
LogP37.43
Rot. Bonds30

About 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-(adamantane-1-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 157172248) has the molecular formula C171H193ClN24O12 and a molecular weight of 2812.03 g/mol. Its IUPAC name is 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(adamantane-1-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID157172248
Molecular FormulaC171H193ClN24O12
Molecular Weight2812.03 g/mol
Exact Mass2809.49
IUPAC Name2-[4-(adamantane-1-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc(-c3nc4ccc(C(=O)NC5CCCCC5)cc4[nH]3)cc2)CC1.O=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)[nH]c2c1.O=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1)c1ccc(Cl)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1)c1ccccc1
InChIInChI=1S/C32H38N4O2.C28H27ClN4O2.2C28H34N4O2.C28H28N4O2.C27H32N4O2/c37-30(33-25-5-3-1-2-4-6-25)24-9-12-27-28(16-24)36-29(35-27)23-7-10-26(11-8-23)34-31(38)32-17-20-13-21(18-32)15-22(14-20)19-32;29-21-12-7-19(8-13-21)27(34)31-23-14-9-18(10-15-23)26-32-24-16-11-20(17-25(24)33-26)28(35)30-22-5-3-1-2-4-6-22;1-18-7-9-20(10-8-18)27(33)30-23-14-11-19(12-15-23)26-31-24-16-13-21(17-25(24)32-26)28(34)29-22-5-3-2-4-6-22;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;32-26(19-7-5-6-8-19)29-22-14-11-18(12-15-22)25-30-23-16-13-20(17-24(23)31-25)27(33)28-21-9-3-1-2-4-10-21/h7-12,16,20-22,25H,1-6,13-15,17-19H2,(H,33,37)(H,34,38)(H,35,36);7-17,22H,1-6H2,(H,30,35)(H,31,34)(H,32,33);11-18,20,22H,2-10H2,1H3,(H,29,34)(H,30,33)(H,31,32);12-18,20,22H,1-11H2,(H,29,34)(H,30,33)(H,31,32);3-5,8-9,12-18,22H,1-2,6-7,10-11H2,(H,29,34)(H,30,33)(H,31,32);11-17,19,21H,1-10H2,(H,28,33)(H,29,32)(H,30,31)
InChIKeyANPJIEDXVZPTTL-UHFFFAOYSA-N
XLogP37.43
TPSA521.28 Ų
H-Bond Donors18
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms208
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002812.03
LogP ≤ 537.43
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1018

Analyze 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide (CID 157172248) is 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide is CC1CCC(C(=O)Nc2ccc(-c3nc4ccc(C(=O)NC5CCCCC5)cc4[nH]3)cc2)CC1.O=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)[nH]c2c1.O=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1)c1ccc(Cl)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is ANPJIEDXVZPTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O2.C28H27ClN4O2.2C28H34N4O2.C28H28N4O2.C27H32N4O2/c37-30(33-25-5-3-1-2-4-6-25)24-9-12-27-28(16-24)36-29(35-27)23-7-10-26(11-8-23)34-31(38)32-17-20-13-21(18-32)15-22(14-20)19-32;29-21-12-7-19(8-13-21)27(34)31-23-14-9-18(10-15-23)26-32-24-16-11-20(17-25(24)33-26)28(35)30-22-5-3-1-2-4-6-22;1-18-7-9-20(10-8-18)27(33)30-23-14-11-19(12-15-23)26-31-24-16-13-21(17-25(24)32-26)28(34)29-22-5-3-2-4-6-22;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;32-26(19-7-5-6-8-19)29-22-14-11-18(12-15-22)25-30-23-16-13-20(17-24(23)31-25)27(33)28-21-9-3-1-2-4-10-21/h7-12,16,20-22,25H,1-6,13-15,17-19H2,(H,33,37)(H,34,38)(H,35,36);7-17,22H,1-6H2,(H,30,35)(H,31,34)(H,32,33);11-18,20,22H,2-10H2,1H3,(H,29,34)(H,30,33)(H,31,32);12-18,20,22H,1-11H2,(H,29,34)(H,30,33)(H,31,32);3-5,8-9,12-18,22H,1-2,6-7,10-11H2,(H,29,34)(H,30,33)(H,31,32);11-17,19,21H,1-10H2,(H,28,33)(H,29,32)(H,30,31).
What are the key properties of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(adamantane-1-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 2812.03 g/mol, XLogP of 37.43, 30 rotatable bonds, 18 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 157172248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).