2-(2,4-dimethoxyphenyl)-1-hydroxy-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)aniline;4-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]acetamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-2,2-dimethylpropanamide;N-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-4-methoxybenzamide;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile

C163H129N37O37 — CID 159161631

IUPAC2-(2,4-dimethoxyphenyl)-1-hydroxy-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)aniline;4-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]acetamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-2,2-dimethylpropanamide;N-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-4-methoxybenzamide;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile
SMILESCC(=O)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1.CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1.CN(C)c1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1.COc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)c(OC)c1.COc1ccc(C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1.N#CCOn1c(-c2ccccc2)nc2ccc([N+](=O)[O-])cc21.Nc1cccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)c1.O=C(Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1)c1ccccc1.O=C(Nc1cccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)c1)c1ccco1.On1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C21H16N4O5.C20H14N4O4.C18H12N4O5.C18H18N4O4.C15H12N4O4.C15H14N4O3.C15H10N4O3.C15H13N3O5.C13H10N4O3.C13H10N2O/c1-30-17-9-4-14(5-10-17)21(26)22-15-6-2-13(3-7-15)20-23-18-11-8-16(25(28)29)12-19(18)24(20)27;25-20(14-4-2-1-3-5-14)21-15-8-6-13(7-9-15)19-22-17-11-10-16(24(27)28)12-18(17)23(19)26;23-18(16-5-2-8-27-16)19-12-4-1-3-11(9-12)17-20-14-7-6-13(22(25)26)10-15(14)21(17)24;1-18(2,3)17(23)19-12-6-4-11(5-7-12)16-20-14-9-8-13(22(25)26)10-15(14)21(16)24;1-9(20)16-11-4-2-10(3-5-11)15-17-13-7-6-12(19(22)23)8-14(13)18(15)21;1-17(2)11-5-3-10(4-6-11)15-16-13-8-7-12(19(21)22)9-14(13)18(15)20;16-8-9-22-18-14-10-12(19(20)21)6-7-13(14)17-15(18)11-4-2-1-3-5-11;1-22-10-4-5-11(14(8-10)23-2)15-16-12-6-3-9(18(20)21)7-13(12)17(15)19;14-9-3-1-2-8(6-9)13-15-11-5-4-10(17(19)20)7-12(11)16(13)18;16-15-12-9-5-4-8-11(12)14-13(15)10-6-2-1-3-7-10/h2-12,27H,1H3,(H,22,26);1-12,26H,(H,21,25);1-10,24H,(H,19,23);4-10,24H,1-3H3,(H,19,23);2-8,21H,1H3,(H,16,20);3-9,20H,1-2H3;1-7,10H,9H2;3-8,19H,1-2H3;1-7,18H,14H2;1-9,16H
InChIKeyKKODQKVWAIOHMW-UHFFFAOYSA-N
MW3198.05 g/mol
LogP32.26
Rot. Bonds33

About 2-(2,4-dimethoxyphenyl)-1-hydroxy-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)aniline;4-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]acetamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-2,2-dimethylpropanamide;N-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-4-methoxybenzamide;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile

2-(2,4-dimethoxyphenyl)-1-hydroxy-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)aniline;4-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]acetamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-2,2-dimethylpropanamide;N-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-4-methoxybenzamide;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile (PubChem CID 159161631) has the molecular formula C163H129N37O37 and a molecular weight of 3198.05 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-1-hydroxy-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)aniline;4-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]acetamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-2,2-dimethylpropanamide;N-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-4-methoxybenzamide;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-1-hydroxy-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)aniline;4-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]acetamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-2,2-dimethylpropanamide;N-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-4-methoxybenzamide;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile
PubChem CID159161631
Molecular FormulaC163H129N37O37
Molecular Weight3198.05 g/mol
Exact Mass3195.94
IUPAC Name2-(2,4-dimethoxyphenyl)-1-hydroxy-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)aniline;4-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]acetamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-2,2-dimethylpropanamide;N-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-4-methoxybenzamide;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile
SMILESCC(=O)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1.CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1.CN(C)c1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1.COc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)c(OC)c1.COc1ccc(C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1.N#CCOn1c(-c2ccccc2)nc2ccc([N+](=O)[O-])cc21.Nc1cccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)c1.O=C(Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1)c1ccccc1.O=C(Nc1cccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)c1)c1ccco1.On1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C21H16N4O5.C20H14N4O4.C18H12N4O5.C18H18N4O4.C15H12N4O4.C15H14N4O3.C15H10N4O3.C15H13N3O5.C13H10N4O3.C13H10N2O/c1-30-17-9-4-14(5-10-17)21(26)22-15-6-2-13(3-7-15)20-23-18-11-8-16(25(28)29)12-19(18)24(20)27;25-20(14-4-2-1-3-5-14)21-15-8-6-13(7-9-15)19-22-17-11-10-16(24(27)28)12-18(17)23(19)26;23-18(16-5-2-8-27-16)19-12-4-1-3-11(9-12)17-20-14-7-6-13(22(25)26)10-15(14)21(17)24;1-18(2,3)17(23)19-12-6-4-11(5-7-12)16-20-14-9-8-13(22(25)26)10-15(14)21(16)24;1-9(20)16-11-4-2-10(3-5-11)15-17-13-7-6-12(19(22)23)8-14(13)18(15)21;1-17(2)11-5-3-10(4-6-11)15-16-13-8-7-12(19(21)22)9-14(13)18(15)20;16-8-9-22-18-14-10-12(19(20)21)6-7-13(14)17-15(18)11-4-2-1-3-5-11;1-22-10-4-5-11(14(8-10)23-2)15-16-12-6-3-9(18(20)21)7-13(12)17(15)19;14-9-3-1-2-8(6-9)13-15-11-5-4-10(17(19)20)7-12(11)16(13)18;16-15-12-9-5-4-8-11(12)14-13(15)10-6-2-1-3-7-10/h2-12,27H,1H3,(H,22,26);1-12,26H,(H,21,25);1-10,24H,(H,19,23);4-10,24H,1-3H3,(H,19,23);2-8,21H,1H3,(H,16,20);3-9,20H,1-2H3;1-7,10H,9H2;3-8,19H,1-2H3;1-7,18H,14H2;1-9,16H
InChIKeyKKODQKVWAIOHMW-UHFFFAOYSA-N
XLogP32.26
TPSA997.14 Ų
H-Bond Donors15
H-Bond Acceptors60
Rotatable Bonds33
Heavy Atoms237
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003198.05
LogP ≤ 532.26
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2,4-dimethoxyphenyl)-1-hydroxy-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)aniline;4-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]acetamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-2,2-dimethylpropanamide;N-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-4-methoxybenzamide;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile with MolForge

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Related Compounds

4-acetamido-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;1-hydroxy-2-(5-methylfuran-2-yl)-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;1-hydroxy-6-nitro-2-(5-phenylfuran-2-yl)benzimidazole;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile
CID 160585296
3-(1-hydroxy-6-nitrobenzimidazol-2-yl)aniline;2-[2-(1-hydroxy-6-nitrobenzimidazol-2-yl)benzimidazol-1-yl]acetic acid;4-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;[2-(1-hydroxy-6-nitrobenzimidazol-2-yl)-5-methoxyphenyl]methanol;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]acetamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-2,2-dimethylpropanamide;N-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 162160379

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-1-hydroxy-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)aniline;4-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]acetamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-2,2-dimethylpropanamide;N-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-4-methoxybenzamide;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-1-hydroxy-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)aniline;4-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]acetamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-2,2-dimethylpropanamide;N-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-4-methoxybenzamide;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile (CID 159161631) is 2-(2,4-dimethoxyphenyl)-1-hydroxy-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)aniline;4-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]acetamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-2,2-dimethylpropanamide;N-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-4-methoxybenzamide;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-1-hydroxy-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)aniline;4-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]acetamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-2,2-dimethylpropanamide;N-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-4-methoxybenzamide;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-1-hydroxy-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)aniline;4-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]acetamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-2,2-dimethylpropanamide;N-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-4-methoxybenzamide;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile is CC(=O)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1.CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1.CN(C)c1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1.COc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)c(OC)c1.COc1ccc(C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1.N#CCOn1c(-c2ccccc2)nc2ccc([N+](=O)[O-])cc21.Nc1cccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)c1.O=C(Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1)c1ccccc1.O=C(Nc1cccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)c1)c1ccco1.On1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-1-hydroxy-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)aniline;4-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]acetamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-2,2-dimethylpropanamide;N-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-4-methoxybenzamide;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile?
The InChIKey is KKODQKVWAIOHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O5.C20H14N4O4.C18H12N4O5.C18H18N4O4.C15H12N4O4.C15H14N4O3.C15H10N4O3.C15H13N3O5.C13H10N4O3.C13H10N2O/c1-30-17-9-4-14(5-10-17)21(26)22-15-6-2-13(3-7-15)20-23-18-11-8-16(25(28)29)12-19(18)24(20)27;25-20(14-4-2-1-3-5-14)21-15-8-6-13(7-9-15)19-22-17-11-10-16(24(27)28)12-18(17)23(19)26;23-18(16-5-2-8-27-16)19-12-4-1-3-11(9-12)17-20-14-7-6-13(22(25)26)10-15(14)21(17)24;1-18(2,3)17(23)19-12-6-4-11(5-7-12)16-20-14-9-8-13(22(25)26)10-15(14)21(16)24;1-9(20)16-11-4-2-10(3-5-11)15-17-13-7-6-12(19(22)23)8-14(13)18(15)21;1-17(2)11-5-3-10(4-6-11)15-16-13-8-7-12(19(21)22)9-14(13)18(15)20;16-8-9-22-18-14-10-12(19(20)21)6-7-13(14)17-15(18)11-4-2-1-3-5-11;1-22-10-4-5-11(14(8-10)23-2)15-16-12-6-3-9(18(20)21)7-13(12)17(15)19;14-9-3-1-2-8(6-9)13-15-11-5-4-10(17(19)20)7-12(11)16(13)18;16-15-12-9-5-4-8-11(12)14-13(15)10-6-2-1-3-7-10/h2-12,27H,1H3,(H,22,26);1-12,26H,(H,21,25);1-10,24H,(H,19,23);4-10,24H,1-3H3,(H,19,23);2-8,21H,1H3,(H,16,20);3-9,20H,1-2H3;1-7,10H,9H2;3-8,19H,1-2H3;1-7,18H,14H2;1-9,16H.
What are the key properties of 2-(2,4-dimethoxyphenyl)-1-hydroxy-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)aniline;4-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]acetamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-2,2-dimethylpropanamide;N-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-4-methoxybenzamide;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile?
2-(2,4-dimethoxyphenyl)-1-hydroxy-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)aniline;4-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]acetamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-2,2-dimethylpropanamide;N-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-4-methoxybenzamide;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile has a molecular weight of 3198.05 g/mol, XLogP of 32.26, 33 rotatable bonds, 15 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-1-hydroxy-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)aniline;4-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]acetamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-2,2-dimethylpropanamide;N-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-2-carboxamide;N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-4-methoxybenzamide;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile is sourced from PubChem (CID 159161631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).