2-[4-(1-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide

C124H134N18O8 — CID 157383264

IUPAC2-[4-(1-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3)[nH]c2c1.O=C(Nc1cccnc1)c1ccc(-c2nc3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3[nH]2)cc1.O=C(Nc1ccncc1)c1ccc(-c2nc3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3[nH]2)cc1
InChIInChI=1S/2C32H38N4O2.2C30H29N5O2/c37-30(33-26-5-3-1-2-4-6-26)25-11-12-27-28(16-25)35-29(34-27)23-7-9-24(10-8-23)31(38)36-32-17-20-13-21(18-32)15-22(14-20)19-32;37-31(36-29-24-14-19-13-20(16-24)17-25(29)15-19)22-9-7-21(8-10-22)30-34-27-12-11-23(18-28(27)35-30)32(38)33-26-5-3-1-2-4-6-26;36-29(32-24-7-9-31-10-8-24)20-3-1-19(2-4-20)28-33-25-6-5-21(16-26(25)34-28)30(37)35-27-22-12-17-11-18(14-22)15-23(27)13-17;36-29(32-24-2-1-9-31-16-24)20-5-3-19(4-6-20)28-33-25-8-7-21(15-26(25)34-28)30(37)35-27-22-11-17-10-18(13-22)14-23(27)12-17/h7-12,16,20-22,26H,1-6,13-15,17-19H2,(H,33,37)(H,34,35)(H,36,38);7-12,18-20,24-26,29H,1-6,13-17H2,(H,33,38)(H,34,35)(H,36,37);1-10,16-18,22-23,27H,11-15H2,(H,33,34)(H,35,37)(H,31,32,36);1-9,15-18,22-23,27H,10-14H2,(H,32,36)(H,33,34)(H,35,37)
InChIKeyBLDCALOKMYTHKR-UHFFFAOYSA-N
MW2004.55 g/mol
LogP23.48
Rot. Bonds20

About 2-[4-(1-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide

2-[4-(1-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 157383264) has the molecular formula C124H134N18O8 and a molecular weight of 2004.55 g/mol. Its IUPAC name is 2-[4-(1-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(1-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID157383264
Molecular FormulaC124H134N18O8
Molecular Weight2004.55 g/mol
Exact Mass2003.06
IUPAC Name2-[4-(1-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3)[nH]c2c1.O=C(Nc1cccnc1)c1ccc(-c2nc3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3[nH]2)cc1.O=C(Nc1ccncc1)c1ccc(-c2nc3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3[nH]2)cc1
InChIInChI=1S/2C32H38N4O2.2C30H29N5O2/c37-30(33-26-5-3-1-2-4-6-26)25-11-12-27-28(16-25)35-29(34-27)23-7-9-24(10-8-23)31(38)36-32-17-20-13-21(18-32)15-22(14-20)19-32;37-31(36-29-24-14-19-13-20(16-24)17-25(29)15-19)22-9-7-21(8-10-22)30-34-27-12-11-23(18-28(27)35-30)32(38)33-26-5-3-1-2-4-6-26;36-29(32-24-7-9-31-10-8-24)20-3-1-19(2-4-20)28-33-25-6-5-21(16-26(25)34-28)30(37)35-27-22-12-17-11-18(14-22)15-23(27)13-17;36-29(32-24-2-1-9-31-16-24)20-5-3-19(4-6-20)28-33-25-8-7-21(15-26(25)34-28)30(37)35-27-22-11-17-10-18(13-22)14-23(27)12-17/h7-12,16,20-22,26H,1-6,13-15,17-19H2,(H,33,37)(H,34,35)(H,36,38);7-12,18-20,24-26,29H,1-6,13-17H2,(H,33,38)(H,34,35)(H,36,37);1-10,16-18,22-23,27H,11-15H2,(H,33,34)(H,35,37)(H,31,32,36);1-9,15-18,22-23,27H,10-14H2,(H,32,36)(H,33,34)(H,35,37)
InChIKeyBLDCALOKMYTHKR-UHFFFAOYSA-N
XLogP23.48
TPSA373.30 Ų
H-Bond Donors12
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002004.55
LogP ≤ 523.48
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1014

Analyze 2-[4-(1-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(1-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide (CID 157383264) is 2-[4-(1-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(1-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(1-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide is O=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3)[nH]c2c1.O=C(Nc1cccnc1)c1ccc(-c2nc3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3[nH]2)cc1.O=C(Nc1ccncc1)c1ccc(-c2nc3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3[nH]2)cc1.
What is the InChIKey of 2-[4-(1-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is BLDCALOKMYTHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H38N4O2.2C30H29N5O2/c37-30(33-26-5-3-1-2-4-6-26)25-11-12-27-28(16-25)35-29(34-27)23-7-9-24(10-8-23)31(38)36-32-17-20-13-21(18-32)15-22(14-20)19-32;37-31(36-29-24-14-19-13-20(16-24)17-25(29)15-19)22-9-7-21(8-10-22)30-34-27-12-11-23(18-28(27)35-30)32(38)33-26-5-3-1-2-4-6-26;36-29(32-24-7-9-31-10-8-24)20-3-1-19(2-4-20)28-33-25-6-5-21(16-26(25)34-28)30(37)35-27-22-12-17-11-18(14-22)15-23(27)13-17;36-29(32-24-2-1-9-31-16-24)20-5-3-19(4-6-20)28-33-25-8-7-21(15-26(25)34-28)30(37)35-27-22-11-17-10-18(13-22)14-23(27)12-17/h7-12,16,20-22,26H,1-6,13-15,17-19H2,(H,33,37)(H,34,35)(H,36,38);7-12,18-20,24-26,29H,1-6,13-17H2,(H,33,38)(H,34,35)(H,36,37);1-10,16-18,22-23,27H,11-15H2,(H,33,34)(H,35,37)(H,31,32,36);1-9,15-18,22-23,27H,10-14H2,(H,32,36)(H,33,34)(H,35,37).
What are the key properties of 2-[4-(1-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(1-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 2004.55 g/mol, XLogP of 23.48, 20 rotatable bonds, 12 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 157383264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).