N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide

C107H85FN20O9 — CID 158247809

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)Nc5cccnc5)cc4)[nH]c3c2)cc1.Cc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccccc5)cc4[nH]3)cc2)nc1.O=C(Nc1cccnc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.O=C(Nc1ccncc1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4C5)cc3[nH]2)cc1
InChIInChI=1S/C27H21N5O3.C27H25N5O2.C27H21N5O2.C26H18FN5O2/c1-35-22-11-9-20(10-12-22)29-27(34)19-8-13-23-24(15-19)32-25(31-23)17-4-6-18(7-5-17)26(33)30-21-3-2-14-28-16-21;33-26(29-21-9-11-28-12-10-21)18-5-3-17(4-6-18)25-30-22-8-7-20(15-24(22)31-25)27(34)32-23-14-16-1-2-19(23)13-16;1-17-7-14-24(28-16-17)32-26(33)19-10-8-18(9-11-19)25-30-22-13-12-20(15-23(22)31-25)27(34)29-21-5-3-2-4-6-21;27-19-8-10-20(11-9-19)29-26(34)18-7-12-22-23(14-18)32-24(31-22)16-3-5-17(6-4-16)25(33)30-21-2-1-13-28-15-21/h2-16H,1H3,(H,29,34)(H,30,33)(H,31,32);3-12,15-16,19,23H,1-2,13-14H2,(H,30,31)(H,32,34)(H,28,29,33);2-16H,1H3,(H,29,34)(H,30,31)(H,28,32,33);1-15H,(H,29,34)(H,30,33)(H,31,32)
InChIKeyGGINJOGCJGZZSM-UHFFFAOYSA-N
MW1813.99 g/mol
LogP20.64
Rot. Bonds21

About N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide (PubChem CID 158247809) has the molecular formula C107H85FN20O9 and a molecular weight of 1813.99 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
PubChem CID158247809
Molecular FormulaC107H85FN20O9
Molecular Weight1813.99 g/mol
Exact Mass1812.68
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)Nc5cccnc5)cc4)[nH]c3c2)cc1.Cc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccccc5)cc4[nH]3)cc2)nc1.O=C(Nc1cccnc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.O=C(Nc1ccncc1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4C5)cc3[nH]2)cc1
InChIInChI=1S/C27H21N5O3.C27H25N5O2.C27H21N5O2.C26H18FN5O2/c1-35-22-11-9-20(10-12-22)29-27(34)19-8-13-23-24(15-19)32-25(31-23)17-4-6-18(7-5-17)26(33)30-21-3-2-14-28-16-21;33-26(29-21-9-11-28-12-10-21)18-5-3-17(4-6-18)25-30-22-8-7-20(15-24(22)31-25)27(34)32-23-14-16-1-2-19(23)13-16;1-17-7-14-24(28-16-17)32-26(33)19-10-8-18(9-11-19)25-30-22-13-12-20(15-23(22)31-25)27(34)29-21-5-3-2-4-6-21;27-19-8-10-20(11-9-19)29-26(34)18-7-12-22-23(14-18)32-24(31-22)16-3-5-17(6-4-16)25(33)30-21-2-1-13-28-15-21/h2-16H,1H3,(H,29,34)(H,30,33)(H,31,32);3-12,15-16,19,23H,1-2,13-14H2,(H,30,31)(H,32,34)(H,28,29,33);2-16H,1H3,(H,29,34)(H,30,31)(H,28,32,33);1-15H,(H,29,34)(H,30,33)(H,31,32)
InChIKeyGGINJOGCJGZZSM-UHFFFAOYSA-N
XLogP20.64
TPSA408.31 Ų
H-Bond Donors12
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms137
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001813.99
LogP ≤ 520.64
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1017

Analyze N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide (CID 158247809) is N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide is COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)Nc5cccnc5)cc4)[nH]c3c2)cc1.Cc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccccc5)cc4[nH]3)cc2)nc1.O=C(Nc1cccnc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.O=C(Nc1ccncc1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4C5)cc3[nH]2)cc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide?
The InChIKey is GGINJOGCJGZZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O3.C27H25N5O2.C27H21N5O2.C26H18FN5O2/c1-35-22-11-9-20(10-12-22)29-27(34)19-8-13-23-24(15-19)32-25(31-23)17-4-6-18(7-5-17)26(33)30-21-3-2-14-28-16-21;33-26(29-21-9-11-28-12-10-21)18-5-3-17(4-6-18)25-30-22-8-7-20(15-24(22)31-25)27(34)32-23-14-16-1-2-19(23)13-16;1-17-7-14-24(28-16-17)32-26(33)19-10-8-18(9-11-19)25-30-22-13-12-20(15-23(22)31-25)27(34)29-21-5-3-2-4-6-21;27-19-8-10-20(11-9-19)29-26(34)18-7-12-22-23(14-18)32-24(31-22)16-3-5-17(6-4-16)25(33)30-21-2-1-13-28-15-21/h2-16H,1H3,(H,29,34)(H,30,33)(H,31,32);3-12,15-16,19,23H,1-2,13-14H2,(H,30,31)(H,32,34)(H,28,29,33);2-16H,1H3,(H,29,34)(H,30,31)(H,28,32,33);1-15H,(H,29,34)(H,30,33)(H,31,32).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide has a molecular weight of 1813.99 g/mol, XLogP of 20.64, 21 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 158247809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).