1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine;4-(2,4-dichlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]imidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine;1-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine;4-phenyl-1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazol-2-amine

C96H78Cl3F6N25OS — CID 172951321

IUPAC1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine;4-(2,4-dichlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]imidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine;1-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine;4-phenyl-1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazol-2-amine
SMILESCOc1ccccc1-c1cn(/N=C\c2ccc(Cl)cc2)c(N)n1.Cc1ccsc1/C=N\n1cc(-c2ccccc2)nc1N.Nc1nc(-c2ccc(Cl)cc2Cl)cn1/N=C\c1ccc(F)cc1.Nc1nc(-c2ccccc2)cn1/N=C\c1ccc(C(F)(F)F)cc1.Nc1nc(-c2ccccc2)cn1/N=C\c1ccc(F)cc1.Nc1nc(-c2ccccn2)cn1/N=C\c1ccc(F)cc1
InChIInChI=1S/C17H15ClN4O.C17H13F3N4.C16H11Cl2FN4.C16H13FN4.C15H12FN5.C15H14N4S/c1-23-16-5-3-2-4-14(16)15-11-22(17(19)21-15)20-10-12-6-8-13(18)9-7-12;18-17(19,20)14-8-6-12(7-9-14)10-22-24-11-15(23-16(24)21)13-4-2-1-3-5-13;17-11-3-6-13(14(18)7-11)15-9-23(16(20)22-15)21-8-10-1-4-12(19)5-2-10;17-14-8-6-12(7-9-14)10-19-21-11-15(20-16(21)18)13-4-2-1-3-5-13;16-12-6-4-11(5-7-12)9-19-21-10-14(20-15(21)17)13-3-1-2-8-18-13;1-11-7-8-20-14(11)9-17-19-10-13(18-15(19)16)12-5-3-2-4-6-12/h2-11H,1H3,(H2,19,21);1-11H,(H2,21,23);1-9H,(H2,20,22);1-11H,(H2,18,20);1-10H,(H2,17,20);2-10H,1H3,(H2,16,18)/b20-10-;22-10-;21-8-;19-10-;19-9-;17-9-
InChIKeySRHXVKCAONDPOQ-MVNRRKLNSA-N
MW1850.27 g/mol
LogP21.26
Rot. Bonds19

About 1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine;4-(2,4-dichlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]imidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine;1-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine;4-phenyl-1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazol-2-amine

1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine;4-(2,4-dichlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]imidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine;1-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine;4-phenyl-1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazol-2-amine (PubChem CID 172951321) has the molecular formula C96H78Cl3F6N25OS and a molecular weight of 1850.27 g/mol. Its IUPAC name is 1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine;4-(2,4-dichlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]imidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine;1-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine;4-phenyl-1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine;4-(2,4-dichlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]imidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine;1-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine;4-phenyl-1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazol-2-amine
PubChem CID172951321
Molecular FormulaC96H78Cl3F6N25OS
Molecular Weight1850.27 g/mol
Exact Mass1847.55
IUPAC Name1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine;4-(2,4-dichlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]imidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine;1-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine;4-phenyl-1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazol-2-amine
SMILESCOc1ccccc1-c1cn(/N=C\c2ccc(Cl)cc2)c(N)n1.Cc1ccsc1/C=N\n1cc(-c2ccccc2)nc1N.Nc1nc(-c2ccc(Cl)cc2Cl)cn1/N=C\c1ccc(F)cc1.Nc1nc(-c2ccccc2)cn1/N=C\c1ccc(C(F)(F)F)cc1.Nc1nc(-c2ccccc2)cn1/N=C\c1ccc(F)cc1.Nc1nc(-c2ccccn2)cn1/N=C\c1ccc(F)cc1
InChIInChI=1S/C17H15ClN4O.C17H13F3N4.C16H11Cl2FN4.C16H13FN4.C15H12FN5.C15H14N4S/c1-23-16-5-3-2-4-14(16)15-11-22(17(19)21-15)20-10-12-6-8-13(18)9-7-12;18-17(19,20)14-8-6-12(7-9-14)10-22-24-11-15(23-16(24)21)13-4-2-1-3-5-13;17-11-3-6-13(14(18)7-11)15-9-23(16(20)22-15)21-8-10-1-4-12(19)5-2-10;17-14-8-6-12(7-9-14)10-19-21-11-15(20-16(21)18)13-4-2-1-3-5-13;16-12-6-4-11(5-7-12)9-19-21-10-14(20-15(21)17)13-3-1-2-8-18-13;1-11-7-8-20-14(11)9-17-19-10-13(18-15(19)16)12-5-3-2-4-6-12/h2-11H,1H3,(H2,19,21);1-11H,(H2,21,23);1-9H,(H2,20,22);1-11H,(H2,18,20);1-10H,(H2,17,20);2-10H,1H3,(H2,16,18)/b20-10-;22-10-;21-8-;19-10-;19-9-;17-9-
InChIKeySRHXVKCAONDPOQ-MVNRRKLNSA-N
XLogP21.26
TPSA359.32 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001850.27
LogP ≤ 521.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine;4-(2,4-dichlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]imidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine;1-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine;4-phenyl-1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine;4-(2,4-dichlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]imidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine;1-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine;4-phenyl-1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazol-2-amine?
The IUPAC name of 1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine;4-(2,4-dichlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]imidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine;1-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine;4-phenyl-1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazol-2-amine (CID 172951321) is 1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine;4-(2,4-dichlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]imidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine;1-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine;4-phenyl-1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazol-2-amine.
What is the SMILES notation for 1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine;4-(2,4-dichlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]imidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine;1-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine;4-phenyl-1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazol-2-amine?
The canonical SMILES for 1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine;4-(2,4-dichlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]imidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine;1-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine;4-phenyl-1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazol-2-amine is COc1ccccc1-c1cn(/N=C\c2ccc(Cl)cc2)c(N)n1.Cc1ccsc1/C=N\n1cc(-c2ccccc2)nc1N.Nc1nc(-c2ccc(Cl)cc2Cl)cn1/N=C\c1ccc(F)cc1.Nc1nc(-c2ccccc2)cn1/N=C\c1ccc(C(F)(F)F)cc1.Nc1nc(-c2ccccc2)cn1/N=C\c1ccc(F)cc1.Nc1nc(-c2ccccn2)cn1/N=C\c1ccc(F)cc1.
What is the InChIKey of 1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine;4-(2,4-dichlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]imidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine;1-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine;4-phenyl-1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazol-2-amine?
The InChIKey is SRHXVKCAONDPOQ-MVNRRKLNSA-N. The full InChI is InChI=1S/C17H15ClN4O.C17H13F3N4.C16H11Cl2FN4.C16H13FN4.C15H12FN5.C15H14N4S/c1-23-16-5-3-2-4-14(16)15-11-22(17(19)21-15)20-10-12-6-8-13(18)9-7-12;18-17(19,20)14-8-6-12(7-9-14)10-22-24-11-15(23-16(24)21)13-4-2-1-3-5-13;17-11-3-6-13(14(18)7-11)15-9-23(16(20)22-15)21-8-10-1-4-12(19)5-2-10;17-14-8-6-12(7-9-14)10-19-21-11-15(20-16(21)18)13-4-2-1-3-5-13;16-12-6-4-11(5-7-12)9-19-21-10-14(20-15(21)17)13-3-1-2-8-18-13;1-11-7-8-20-14(11)9-17-19-10-13(18-15(19)16)12-5-3-2-4-6-12/h2-11H,1H3,(H2,19,21);1-11H,(H2,21,23);1-9H,(H2,20,22);1-11H,(H2,18,20);1-10H,(H2,17,20);2-10H,1H3,(H2,16,18)/b20-10-;22-10-;21-8-;19-10-;19-9-;17-9-.
What are the key properties of 1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine;4-(2,4-dichlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]imidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine;1-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine;4-phenyl-1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazol-2-amine?
1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine;4-(2,4-dichlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]imidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine;1-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine;4-phenyl-1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazol-2-amine has a molecular weight of 1850.27 g/mol, XLogP of 21.26, 19 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine;4-(2,4-dichlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]imidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine;1-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine;4-phenyl-1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazol-2-amine is sourced from PubChem (CID 172951321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).