2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide

C109H78Cl3FN16O9 — CID 158470979

IUPAC2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccccc5)cc4[nH]3)cc2)cc1.O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3ccc(C(=O)Nc4ccccc4)cc3[nH]2)cc1.O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccccc4)cc3[nH]2)cc1.O=C(Nc1ccc(F)cc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccccc4)cc3[nH]2)cc1
InChIInChI=1S/C28H22N4O3.C27H18Cl2N4O2.C27H19ClN4O2.C27H19FN4O2/c1-35-23-14-12-22(13-15-23)30-27(33)19-9-7-18(8-10-19)26-31-24-16-11-20(17-25(24)32-26)28(34)29-21-5-3-2-4-6-21;28-21-12-11-20(15-22(21)29)31-26(34)17-8-6-16(7-9-17)25-32-23-13-10-18(14-24(23)33-25)27(35)30-19-4-2-1-3-5-19;2*28-20-11-13-22(14-12-20)30-26(33)18-8-6-17(7-9-18)25-31-23-15-10-19(16-24(23)32-25)27(34)29-21-4-2-1-3-5-21/h2-17H,1H3,(H,29,34)(H,30,33)(H,31,32);1-15H,(H,30,35)(H,31,34)(H,32,33);2*1-16H,(H,29,34)(H,30,33)(H,31,32)
InChIKeyHGIOOPCASFYLHR-UHFFFAOYSA-N
MW1881.28 g/mol
LogP25.05
Rot. Bonds21

About 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide

2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide (PubChem CID 158470979) has the molecular formula C109H78Cl3FN16O9 and a molecular weight of 1881.28 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
PubChem CID158470979
Molecular FormulaC109H78Cl3FN16O9
Molecular Weight1881.28 g/mol
Exact Mass1878.52
IUPAC Name2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccccc5)cc4[nH]3)cc2)cc1.O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3ccc(C(=O)Nc4ccccc4)cc3[nH]2)cc1.O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccccc4)cc3[nH]2)cc1.O=C(Nc1ccc(F)cc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccccc4)cc3[nH]2)cc1
InChIInChI=1S/C28H22N4O3.C27H18Cl2N4O2.C27H19ClN4O2.C27H19FN4O2/c1-35-23-14-12-22(13-15-23)30-27(33)19-9-7-18(8-10-19)26-31-24-16-11-20(17-25(24)32-26)28(34)29-21-5-3-2-4-6-21;28-21-12-11-20(15-22(21)29)31-26(34)17-8-6-16(7-9-17)25-32-23-13-10-18(14-24(23)33-25)27(35)30-19-4-2-1-3-5-19;2*28-20-11-13-22(14-12-20)30-26(33)18-8-6-17(7-9-18)25-31-23-15-10-19(16-24(23)32-25)27(34)29-21-4-2-1-3-5-21/h2-17H,1H3,(H,29,34)(H,30,33)(H,31,32);1-15H,(H,30,35)(H,31,34)(H,32,33);2*1-16H,(H,29,34)(H,30,33)(H,31,32)
InChIKeyHGIOOPCASFYLHR-UHFFFAOYSA-N
XLogP25.05
TPSA356.75 Ų
H-Bond Donors12
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001881.28
LogP ≤ 525.05
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1013

Analyze 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide (CID 158470979) is 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide is COc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccccc5)cc4[nH]3)cc2)cc1.O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3ccc(C(=O)Nc4ccccc4)cc3[nH]2)cc1.O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccccc4)cc3[nH]2)cc1.O=C(Nc1ccc(F)cc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccccc4)cc3[nH]2)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide?
The InChIKey is HGIOOPCASFYLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O3.C27H18Cl2N4O2.C27H19ClN4O2.C27H19FN4O2/c1-35-23-14-12-22(13-15-23)30-27(33)19-9-7-18(8-10-19)26-31-24-16-11-20(17-25(24)32-26)28(34)29-21-5-3-2-4-6-21;28-21-12-11-20(15-22(21)29)31-26(34)17-8-6-16(7-9-17)25-32-23-13-10-18(14-24(23)33-25)27(35)30-19-4-2-1-3-5-19;2*28-20-11-13-22(14-12-20)30-26(33)18-8-6-17(7-9-18)25-31-23-15-10-19(16-24(23)32-25)27(34)29-21-4-2-1-3-5-21/h2-17H,1H3,(H,29,34)(H,30,33)(H,31,32);1-15H,(H,30,35)(H,31,34)(H,32,33);2*1-16H,(H,29,34)(H,30,33)(H,31,32).
What are the key properties of 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide?
2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide has a molecular weight of 1881.28 g/mol, XLogP of 25.05, 21 rotatable bonds, 12 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 158470979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).