N-[[4-(2-aminoanilino)-2-chlorophenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(5-methylthiophen-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-nitroanilino)phenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine

C91H83Cl5N18O8S2 — CID 173261924

About N-[[4-(2-aminoanilino)-2-chlorophenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(5-methylthiophen-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-nitroanilino)phenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine

N-[[4-(2-aminoanilino)-2-chlorophenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(5-methylthiophen-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-nitroanilino)phenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine (PubChem CID 173261924) has the molecular formula C91H83Cl5N18O8S2 and a molecular weight of 1798.18 g/mol. Its IUPAC name is N-[[4-(2-aminoanilino)-2-chlorophenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(5-methylthiophen-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-nitroanilino)phenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine.

Molecular Properties

• Compound Name: N-[[4-(2-aminoanilino)-2-chlorophenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(5-methylthiophen-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-nitroanilino)phenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine
• PubChem CID: 173261924
• Molecular Formula: C91H83Cl5N18O8S2
• Molecular Weight: 1798.18 g/mol
• Exact Mass: 1794.45
• IUPAC Name: N-[[4-(2-aminoanilino)-2-chlorophenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(5-methylthiophen-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-nitroanilino)phenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine
• SMILES: Cc1ccc(C(=NO)c2ccc(Nc3ccccc3C)cc2Cl)s1.Cc1ccccc1Nc1ccc(C(=NO)c2c(C)noc2C)c(Cl)c1.Cc1ccccc1Nc1ccc(C(=NO)c2nc(C)c(C)s2)c(Cl)c1.Cn1ccnc1C(=NO)c1ccc(Nc2ccccc2N)cc1Cl.Cn1ccnc1C(=NO)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1Cl
• InChI: InChI=1S/C19H18ClN3O2.C19H18ClN3OS.C19H17ClN2OS.C17H14ClN5O3.C17H16ClN5O/c1-11-6-4-5-7-17(11)21-14-8-9-15(16(20)10-14)19(22-24)18-12(2)23-25-13(18)3;1-11-6-4-5-7-17(11)22-14-8-9-15(16(20)10-14)18(23-24)19-21-12(2)13(3)25-19;1-12-5-3-4-6-17(12)21-14-8-9-15(16(20)11-14)19(22-23)18-10-7-13(2)24-18;1-22-9-8-19-17(22)16(21-24)12-7-6-11(10-13(12)18)20-14-4-2-3-5-15(14)23(25)26;1-23-9-8-20-17(23)16(22-24)12-7-6-11(10-13(12)18)21-15-5-3-2-4-14(15)19/h4-10,21,24H,1-3H3;4-10,22,24H,1-3H3;3-11,21,23H,1-2H3;2-10,20,24H,1H3;2-10,21,24H,19H2,1H3
• InChIKey: UZYRXAHPUKAWDH-UHFFFAOYSA-N
• XLogP: 24.48
• TPSA: 366.82 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1798.18
LogP ≤ 5	24.48
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoanilino)-2-chlorophenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(5-methylthiophen-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-nitroanilino)phenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine?

The IUPAC name of N-[[4-(2-aminoanilino)-2-chlorophenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(5-methylthiophen-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-nitroanilino)phenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine (CID 173261924) is N-[[4-(2-aminoanilino)-2-chlorophenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(5-methylthiophen-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-nitroanilino)phenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine.

What is the SMILES notation for N-[[4-(2-aminoanilino)-2-chlorophenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(5-methylthiophen-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-nitroanilino)phenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine?

The canonical SMILES for N-[[4-(2-aminoanilino)-2-chlorophenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(5-methylthiophen-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-nitroanilino)phenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine is Cc1ccc(C(=NO)c2ccc(Nc3ccccc3C)cc2Cl)s1.Cc1ccccc1Nc1ccc(C(=NO)c2c(C)noc2C)c(Cl)c1.Cc1ccccc1Nc1ccc(C(=NO)c2nc(C)c(C)s2)c(Cl)c1.Cn1ccnc1C(=NO)c1ccc(Nc2ccccc2N)cc1Cl.Cn1ccnc1C(=NO)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1Cl.

What is the InChIKey of N-[[4-(2-aminoanilino)-2-chlorophenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(5-methylthiophen-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-nitroanilino)phenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine?

The InChIKey is UZYRXAHPUKAWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2.C19H18ClN3OS.C19H17ClN2OS.C17H14ClN5O3.C17H16ClN5O/c1-11-6-4-5-7-17(11)21-14-8-9-15(16(20)10-14)19(22-24)18-12(2)23-25-13(18)3;1-11-6-4-5-7-17(11)22-14-8-9-15(16(20)10-14)18(23-24)19-21-12(2)13(3)25-19;1-12-5-3-4-6-17(12)21-14-8-9-15(16(20)11-14)19(22-23)18-10-7-13(2)24-18;1-22-9-8-19-17(22)16(21-24)12-7-6-11(10-13(12)18)20-14-4-2-3-5-15(14)23(25)26;1-23-9-8-20-17(23)16(22-24)12-7-6-11(10-13(12)18)21-15-5-3-2-4-14(15)19/h4-10,21,24H,1-3H3;4-10,22,24H,1-3H3;3-11,21,23H,1-2H3;2-10,20,24H,1H3;2-10,21,24H,19H2,1H3.

What are the key properties of N-[[4-(2-aminoanilino)-2-chlorophenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(5-methylthiophen-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-nitroanilino)phenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine?

N-[[4-(2-aminoanilino)-2-chlorophenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(5-methylthiophen-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-nitroanilino)phenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine has a molecular weight of 1798.18 g/mol, XLogP of 24.48, 21 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(2-aminoanilino)-2-chlorophenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-methylanilino)phenyl]-(5-methylthiophen-2-yl)methylidene]hydroxylamine;N-[[2-chloro-4-(2-nitroanilino)phenyl]-(1-methylimidazol-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 173261924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).