5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide

C84H69F5N12O6 — CID 160610874

IUPAC5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ccn[nH]3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3[nH]c(=O)n4-c3cccc(F)c3F)ccc2C)cc1.Cc1ccc(NC(=O)c2nc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C)cc1
InChIInChI=1S/C28H23F3N4O2.C28H21F2N3O2.C28H25N5O2/c1-16-7-10-18(11-8-16)33-25(36)20-15-17(9-12-21(20)28(29,30)31)19-5-4-6-22-24(19)27(2,3)26(37)35(22)23-13-14-32-34-23;1-16-9-13-19(14-10-16)31-27(34)21-15-18(12-11-17(21)2)20-5-3-8-24-26(20)32-28(35)33(24)23-7-4-6-22(29)25(23)30;1-17-9-12-19(13-10-17)31-25(34)24-18(2)11-14-21(32-24)20-7-5-8-22-23(20)28(3,4)26(35)33(22)27-29-15-6-16-30-27/h4-15H,1-3H3,(H,32,34)(H,33,36);3-15H,1-2H3,(H,31,34)(H,32,35);5-16H,1-4H3,(H,31,34)
InChIKeyRFMMXPKUWLBFPA-UHFFFAOYSA-N
MW1437.54 g/mol
LogP18.11
Rot. Bonds12

About 5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide

5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide (PubChem CID 160610874) has the molecular formula C84H69F5N12O6 and a molecular weight of 1437.54 g/mol. Its IUPAC name is 5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
PubChem CID160610874
Molecular FormulaC84H69F5N12O6
Molecular Weight1437.54 g/mol
Exact Mass1436.54
IUPAC Name5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ccn[nH]3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3[nH]c(=O)n4-c3cccc(F)c3F)ccc2C)cc1.Cc1ccc(NC(=O)c2nc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C)cc1
InChIInChI=1S/C28H23F3N4O2.C28H21F2N3O2.C28H25N5O2/c1-16-7-10-18(11-8-16)33-25(36)20-15-17(9-12-21(20)28(29,30)31)19-5-4-6-22-24(19)27(2,3)26(37)35(22)23-13-14-32-34-23;1-16-9-13-19(14-10-16)31-27(34)21-15-18(12-11-17(21)2)20-5-3-8-24-26(20)32-28(35)33(24)23-7-4-6-22(29)25(23)30;1-17-9-12-19(13-10-17)31-25(34)24-18(2)11-14-21(32-24)20-7-5-8-22-23(20)28(3,4)26(35)33(22)27-29-15-6-16-30-27/h4-15H,1-3H3,(H,32,34)(H,33,36);3-15H,1-2H3,(H,31,34)(H,32,35);5-16H,1-4H3,(H,31,34)
InChIKeyRFMMXPKUWLBFPA-UHFFFAOYSA-N
XLogP18.11
TPSA233.06 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001437.54
LogP ≤ 518.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide (CID 160610874) is 5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ccn[nH]3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3[nH]c(=O)n4-c3cccc(F)c3F)ccc2C)cc1.Cc1ccc(NC(=O)c2nc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C)cc1.
What is the InChIKey of 5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is RFMMXPKUWLBFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N4O2.C28H21F2N3O2.C28H25N5O2/c1-16-7-10-18(11-8-16)33-25(36)20-15-17(9-12-21(20)28(29,30)31)19-5-4-6-22-24(19)27(2,3)26(37)35(22)23-13-14-32-34-23;1-16-9-13-19(14-10-16)31-27(34)21-15-18(12-11-17(21)2)20-5-3-8-24-26(20)32-28(35)33(24)23-7-4-6-22(29)25(23)30;1-17-9-12-19(13-10-17)31-25(34)24-18(2)11-14-21(32-24)20-7-5-8-22-23(20)28(3,4)26(35)33(22)27-29-15-6-16-30-27/h4-15H,1-3H3,(H,32,34)(H,33,36);3-15H,1-2H3,(H,31,34)(H,32,35);5-16H,1-4H3,(H,31,34).
What are the key properties of 5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide?
5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide has a molecular weight of 1437.54 g/mol, XLogP of 18.11, 12 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 160610874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).