N-(1H-benzimidazol-2-yl)-3-chlorobenzamide;bis(N-(1H-benzimidazol-2-yl)-3-methylbenzamide);3-(cyclohexylamino)-4-(3,5-dimethylanilino)cyclobut-3-ene-1,2-dione;3,4-dianilinocyclobut-3-ene-1,2-dione;3-(3,5-dimethylanilino)-4-[3-methyl-5-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione;N-[3-(hydroxymethyl)phenyl]-1H-indene-2-carboxamide;3-(4-methylanilino)-4-[[(2R)-2-piperidin-1-ylcyclohexyl]amino]cyclobut-3-ene-1,2-dione

C137H131ClF3N19O13 — CID 158178191

About N-(1H-benzimidazol-2-yl)-3-chlorobenzamide;bis(N-(1H-benzimidazol-2-yl)-3-methylbenzamide);3-(cyclohexylamino)-4-(3,5-dimethylanilino)cyclobut-3-ene-1,2-dione;3,4-dianilinocyclobut-3-ene-1,2-dione;3-(3,5-dimethylanilino)-4-[3-methyl-5-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione;N-[3-(hydroxymethyl)phenyl]-1H-indene-2-carboxamide;3-(4-methylanilino)-4-[[(2R)-2-piperidin-1-ylcyclohexyl]amino]cyclobut-3-ene-1,2-dione

N-(1H-benzimidazol-2-yl)-3-chlorobenzamide;bis(N-(1H-benzimidazol-2-yl)-3-methylbenzamide);3-(cyclohexylamino)-4-(3,5-dimethylanilino)cyclobut-3-ene-1,2-dione;3,4-dianilinocyclobut-3-ene-1,2-dione;3-(3,5-dimethylanilino)-4-[3-methyl-5-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione;N-[3-(hydroxymethyl)phenyl]-1H-indene-2-carboxamide;3-(4-methylanilino)-4-[[(2R)-2-piperidin-1-ylcyclohexyl]amino]cyclobut-3-ene-1,2-dione (PubChem CID 158178191) has the molecular formula C137H131ClF3N19O13 and a molecular weight of 2344.12 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-chlorobenzamide;bis(N-(1H-benzimidazol-2-yl)-3-methylbenzamide);3-(cyclohexylamino)-4-(3,5-dimethylanilino)cyclobut-3-ene-1,2-dione;3,4-dianilinocyclobut-3-ene-1,2-dione;3-(3,5-dimethylanilino)-4-[3-methyl-5-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione;N-[3-(hydroxymethyl)phenyl]-1H-indene-2-carboxamide;3-(4-methylanilino)-4-[[(2R)-2-piperidin-1-ylcyclohexyl]amino]cyclobut-3-ene-1,2-dione.

Molecular Properties

• Compound Name: N-(1H-benzimidazol-2-yl)-3-chlorobenzamide;bis(N-(1H-benzimidazol-2-yl)-3-methylbenzamide);3-(cyclohexylamino)-4-(3,5-dimethylanilino)cyclobut-3-ene-1,2-dione;3,4-dianilinocyclobut-3-ene-1,2-dione;3-(3,5-dimethylanilino)-4-[3-methyl-5-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione;N-[3-(hydroxymethyl)phenyl]-1H-indene-2-carboxamide;3-(4-methylanilino)-4-[[(2R)-2-piperidin-1-ylcyclohexyl]amino]cyclobut-3-ene-1,2-dione
• PubChem CID: 158178191
• Molecular Formula: C137H131ClF3N19O13
• Molecular Weight: 2344.12 g/mol
• Exact Mass: 2341.98
• IUPAC Name: N-(1H-benzimidazol-2-yl)-3-chlorobenzamide;bis(N-(1H-benzimidazol-2-yl)-3-methylbenzamide);3-(cyclohexylamino)-4-(3,5-dimethylanilino)cyclobut-3-ene-1,2-dione;3,4-dianilinocyclobut-3-ene-1,2-dione;3-(3,5-dimethylanilino)-4-[3-methyl-5-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione;N-[3-(hydroxymethyl)phenyl]-1H-indene-2-carboxamide;3-(4-methylanilino)-4-[[(2R)-2-piperidin-1-ylcyclohexyl]amino]cyclobut-3-ene-1,2-dione
• SMILES: Cc1cc(C)cc(Nc2c(NC3CCCCC3)c(=O)c2=O)c1.Cc1cc(C)cc(Nc2c(Nc3cc(C)cc(C(F)(F)F)c3)c(=O)c2=O)c1.Cc1ccc(Nc2c(NC3CCCC[C@H]3N3CCCCC3)c(=O)c2=O)cc1.Cc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1.Cc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1.O=C(Nc1cccc(CO)c1)C1=Cc2ccccc2C1.O=C(Nc1nc2ccccc2[nH]1)c1cccc(Cl)c1.O=c1c(Nc2ccccc2)c(Nc2ccccc2)c1=O
• InChI: InChI=1S/C22H29N3O2.C20H17F3N2O2.C18H22N2O2.C17H15NO2.C16H12N2O2.2C15H13N3O.C14H10ClN3O/c1-15-9-11-16(12-10-15)23-19-20(22(27)21(19)26)24-17-7-3-4-8-18(17)25-13-5-2-6-14-25;1-10-4-11(2)7-14(6-10)24-16-17(19(27)18(16)26)25-15-8-12(3)5-13(9-15)20(21,22)23;1-11-8-12(2)10-14(9-11)20-16-15(17(21)18(16)22)19-13-6-4-3-5-7-13;19-11-12-4-3-7-16(8-12)18-17(20)15-9-13-5-1-2-6-14(13)10-15;19-15-13(17-11-7-3-1-4-8-11)14(16(15)20)18-12-9-5-2-6-10-12;2*1-10-5-4-6-11(9-10)14(19)18-15-16-12-7-2-3-8-13(12)17-15;15-10-5-3-4-9(8-10)13(19)18-14-16-11-6-1-2-7-12(11)17-14/h9-12,17-18,23-24H,2-8,13-14H2,1H3;4-9,24-25H,1-3H3;8-10,13,19-20H,3-7H2,1-2H3;1-9,19H,10-11H2,(H,18,20);1-10,17-18H;2*2-9H,1H3,(H2,16,17,18,19);1-8H,(H2,16,17,18,19)/t17?,18-;;;;;;;/m1......./s1
• InChIKey: FYGGKMJYDVQITJ-SVDSTAMGSA-N
• XLogP: 26.89
• TPSA: 458.71 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2344.12
LogP ≤ 5	26.89
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-chlorobenzamide;bis(N-(1H-benzimidazol-2-yl)-3-methylbenzamide);3-(cyclohexylamino)-4-(3,5-dimethylanilino)cyclobut-3-ene-1,2-dione;3,4-dianilinocyclobut-3-ene-1,2-dione;3-(3,5-dimethylanilino)-4-[3-methyl-5-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione;N-[3-(hydroxymethyl)phenyl]-1H-indene-2-carboxamide;3-(4-methylanilino)-4-[[(2R)-2-piperidin-1-ylcyclohexyl]amino]cyclobut-3-ene-1,2-dione?

The IUPAC name of N-(1H-benzimidazol-2-yl)-3-chlorobenzamide;bis(N-(1H-benzimidazol-2-yl)-3-methylbenzamide);3-(cyclohexylamino)-4-(3,5-dimethylanilino)cyclobut-3-ene-1,2-dione;3,4-dianilinocyclobut-3-ene-1,2-dione;3-(3,5-dimethylanilino)-4-[3-methyl-5-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione;N-[3-(hydroxymethyl)phenyl]-1H-indene-2-carboxamide;3-(4-methylanilino)-4-[[(2R)-2-piperidin-1-ylcyclohexyl]amino]cyclobut-3-ene-1,2-dione (CID 158178191) is N-(1H-benzimidazol-2-yl)-3-chlorobenzamide;bis(N-(1H-benzimidazol-2-yl)-3-methylbenzamide);3-(cyclohexylamino)-4-(3,5-dimethylanilino)cyclobut-3-ene-1,2-dione;3,4-dianilinocyclobut-3-ene-1,2-dione;3-(3,5-dimethylanilino)-4-[3-methyl-5-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione;N-[3-(hydroxymethyl)phenyl]-1H-indene-2-carboxamide;3-(4-methylanilino)-4-[[(2R)-2-piperidin-1-ylcyclohexyl]amino]cyclobut-3-ene-1,2-dione.

What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-chlorobenzamide;bis(N-(1H-benzimidazol-2-yl)-3-methylbenzamide);3-(cyclohexylamino)-4-(3,5-dimethylanilino)cyclobut-3-ene-1,2-dione;3,4-dianilinocyclobut-3-ene-1,2-dione;3-(3,5-dimethylanilino)-4-[3-methyl-5-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione;N-[3-(hydroxymethyl)phenyl]-1H-indene-2-carboxamide;3-(4-methylanilino)-4-[[(2R)-2-piperidin-1-ylcyclohexyl]amino]cyclobut-3-ene-1,2-dione?

The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-chlorobenzamide;bis(N-(1H-benzimidazol-2-yl)-3-methylbenzamide);3-(cyclohexylamino)-4-(3,5-dimethylanilino)cyclobut-3-ene-1,2-dione;3,4-dianilinocyclobut-3-ene-1,2-dione;3-(3,5-dimethylanilino)-4-[3-methyl-5-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione;N-[3-(hydroxymethyl)phenyl]-1H-indene-2-carboxamide;3-(4-methylanilino)-4-[[(2R)-2-piperidin-1-ylcyclohexyl]amino]cyclobut-3-ene-1,2-dione is Cc1cc(C)cc(Nc2c(NC3CCCCC3)c(=O)c2=O)c1.Cc1cc(C)cc(Nc2c(Nc3cc(C)cc(C(F)(F)F)c3)c(=O)c2=O)c1.Cc1ccc(Nc2c(NC3CCCC[C@H]3N3CCCCC3)c(=O)c2=O)cc1.Cc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1.Cc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1.O=C(Nc1cccc(CO)c1)C1=Cc2ccccc2C1.O=C(Nc1nc2ccccc2[nH]1)c1cccc(Cl)c1.O=c1c(Nc2ccccc2)c(Nc2ccccc2)c1=O.

What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-chlorobenzamide;bis(N-(1H-benzimidazol-2-yl)-3-methylbenzamide);3-(cyclohexylamino)-4-(3,5-dimethylanilino)cyclobut-3-ene-1,2-dione;3,4-dianilinocyclobut-3-ene-1,2-dione;3-(3,5-dimethylanilino)-4-[3-methyl-5-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione;N-[3-(hydroxymethyl)phenyl]-1H-indene-2-carboxamide;3-(4-methylanilino)-4-[[(2R)-2-piperidin-1-ylcyclohexyl]amino]cyclobut-3-ene-1,2-dione?

The InChIKey is FYGGKMJYDVQITJ-SVDSTAMGSA-N. The full InChI is InChI=1S/C22H29N3O2.C20H17F3N2O2.C18H22N2O2.C17H15NO2.C16H12N2O2.2C15H13N3O.C14H10ClN3O/c1-15-9-11-16(12-10-15)23-19-20(22(27)21(19)26)24-17-7-3-4-8-18(17)25-13-5-2-6-14-25;1-10-4-11(2)7-14(6-10)24-16-17(19(27)18(16)26)25-15-8-12(3)5-13(9-15)20(21,22)23;1-11-8-12(2)10-14(9-11)20-16-15(17(21)18(16)22)19-13-6-4-3-5-7-13;19-11-12-4-3-7-16(8-12)18-17(20)15-9-13-5-1-2-6-14(13)10-15;19-15-13(17-11-7-3-1-4-8-11)14(16(15)20)18-12-9-5-2-6-10-12;2*1-10-5-4-6-11(9-10)14(19)18-15-16-12-7-2-3-8-13(12)17-15;15-10-5-3-4-9(8-10)13(19)18-14-16-11-6-1-2-7-12(11)17-14/h9-12,17-18,23-24H,2-8,13-14H2,1H3;4-9,24-25H,1-3H3;8-10,13,19-20H,3-7H2,1-2H3;1-9,19H,10-11H2,(H,18,20);1-10,17-18H;2*2-9H,1H3,(H2,16,17,18,19);1-8H,(H2,16,17,18,19)/t17?,18-;;;;;;;/m1......./s1.

What are the key properties of N-(1H-benzimidazol-2-yl)-3-chlorobenzamide;bis(N-(1H-benzimidazol-2-yl)-3-methylbenzamide);3-(cyclohexylamino)-4-(3,5-dimethylanilino)cyclobut-3-ene-1,2-dione;3,4-dianilinocyclobut-3-ene-1,2-dione;3-(3,5-dimethylanilino)-4-[3-methyl-5-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione;N-[3-(hydroxymethyl)phenyl]-1H-indene-2-carboxamide;3-(4-methylanilino)-4-[[(2R)-2-piperidin-1-ylcyclohexyl]amino]cyclobut-3-ene-1,2-dione?

N-(1H-benzimidazol-2-yl)-3-chlorobenzamide;bis(N-(1H-benzimidazol-2-yl)-3-methylbenzamide);3-(cyclohexylamino)-4-(3,5-dimethylanilino)cyclobut-3-ene-1,2-dione;3,4-dianilinocyclobut-3-ene-1,2-dione;3-(3,5-dimethylanilino)-4-[3-methyl-5-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione;N-[3-(hydroxymethyl)phenyl]-1H-indene-2-carboxamide;3-(4-methylanilino)-4-[[(2R)-2-piperidin-1-ylcyclohexyl]amino]cyclobut-3-ene-1,2-dione has a molecular weight of 2344.12 g/mol, XLogP of 26.89, 26 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1H-benzimidazol-2-yl)-3-chlorobenzamide;bis(N-(1H-benzimidazol-2-yl)-3-methylbenzamide);3-(cyclohexylamino)-4-(3,5-dimethylanilino)cyclobut-3-ene-1,2-dione;3,4-dianilinocyclobut-3-ene-1,2-dione;3-(3,5-dimethylanilino)-4-[3-methyl-5-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione;N-[3-(hydroxymethyl)phenyl]-1H-indene-2-carboxamide;3-(4-methylanilino)-4-[[(2R)-2-piperidin-1-ylcyclohexyl]amino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 158178191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).