1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2,4-dimethylphenyl)imidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine

C90H74Cl3F3N26S3 — CID 172917817

IUPAC1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2,4-dimethylphenyl)imidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine
SMILESCc1ccc(-c2cn(/N=C\c3ccc(Cl)cc3)c(N)n2)c(C)c1.Nc1nc(-c2cccnc2)cn1/N=C\c1ccc(Cl)cc1.Nc1nc(-c2cccnc2)cn1/N=C\c1ccc(F)cc1.Nc1nc(-c2cccs2)cn1/N=C\c1ccc(F)cc1.Nc1nc(-c2ccsc2)cn1/N=C\c1ccc(Cl)cc1.Nc1nc(-c2ccsc2)cn1/N=C\c1ccc(F)cc1
InChIInChI=1S/C18H17ClN4.C15H12ClN5.C15H12FN5.C14H11ClN4S.2C14H11FN4S/c1-12-3-8-16(13(2)9-12)17-11-23(18(20)22-17)21-10-14-4-6-15(19)7-5-14;2*16-13-5-3-11(4-6-13)8-19-21-10-14(20-15(21)17)12-2-1-7-18-9-12;2*15-12-3-1-10(2-4-12)7-17-19-8-13(18-14(19)16)11-5-6-20-9-11;15-11-5-3-10(4-6-11)8-17-19-9-12(18-14(19)16)13-2-1-7-20-13/h3-11H,1-2H3,(H2,20,22);2*1-10H,(H2,17,20);3*1-9H,(H2,16,18)/b21-10-;2*19-8-;2*17-7-;17-8-
InChIKeyJNIJJGXQMFNIAE-PUPKWSADSA-N
MW1779.32 g/mol
LogP20.06
Rot. Bonds18

About 1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2,4-dimethylphenyl)imidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine

1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2,4-dimethylphenyl)imidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine (PubChem CID 172917817) has the molecular formula C90H74Cl3F3N26S3 and a molecular weight of 1779.32 g/mol. Its IUPAC name is 1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2,4-dimethylphenyl)imidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine.

Molecular Properties

Compound Name1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2,4-dimethylphenyl)imidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine
PubChem CID172917817
Molecular FormulaC90H74Cl3F3N26S3
Molecular Weight1779.32 g/mol
Exact Mass1776.48
IUPAC Name1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2,4-dimethylphenyl)imidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine
SMILESCc1ccc(-c2cn(/N=C\c3ccc(Cl)cc3)c(N)n2)c(C)c1.Nc1nc(-c2cccnc2)cn1/N=C\c1ccc(Cl)cc1.Nc1nc(-c2cccnc2)cn1/N=C\c1ccc(F)cc1.Nc1nc(-c2cccs2)cn1/N=C\c1ccc(F)cc1.Nc1nc(-c2ccsc2)cn1/N=C\c1ccc(Cl)cc1.Nc1nc(-c2ccsc2)cn1/N=C\c1ccc(F)cc1
InChIInChI=1S/C18H17ClN4.C15H12ClN5.C15H12FN5.C14H11ClN4S.2C14H11FN4S/c1-12-3-8-16(13(2)9-12)17-11-23(18(20)22-17)21-10-14-4-6-15(19)7-5-14;2*16-13-5-3-11(4-6-13)8-19-21-10-14(20-15(21)17)12-2-1-7-18-9-12;2*15-12-3-1-10(2-4-12)7-17-19-8-13(18-14(19)16)11-5-6-20-9-11;15-11-5-3-10(4-6-11)8-17-19-9-12(18-14(19)16)13-2-1-7-20-13/h3-11H,1-2H3,(H2,20,22);2*1-10H,(H2,17,20);3*1-9H,(H2,16,18)/b21-10-;2*19-8-;2*17-7-;17-8-
InChIKeyJNIJJGXQMFNIAE-PUPKWSADSA-N
XLogP20.06
TPSA362.98 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds18
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001779.32
LogP ≤ 520.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2,4-dimethylphenyl)imidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2,4-dimethylphenyl)imidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine?
The IUPAC name of 1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2,4-dimethylphenyl)imidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine (CID 172917817) is 1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2,4-dimethylphenyl)imidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine.
What is the SMILES notation for 1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2,4-dimethylphenyl)imidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine?
The canonical SMILES for 1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2,4-dimethylphenyl)imidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine is Cc1ccc(-c2cn(/N=C\c3ccc(Cl)cc3)c(N)n2)c(C)c1.Nc1nc(-c2cccnc2)cn1/N=C\c1ccc(Cl)cc1.Nc1nc(-c2cccnc2)cn1/N=C\c1ccc(F)cc1.Nc1nc(-c2cccs2)cn1/N=C\c1ccc(F)cc1.Nc1nc(-c2ccsc2)cn1/N=C\c1ccc(Cl)cc1.Nc1nc(-c2ccsc2)cn1/N=C\c1ccc(F)cc1.
What is the InChIKey of 1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2,4-dimethylphenyl)imidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine?
The InChIKey is JNIJJGXQMFNIAE-PUPKWSADSA-N. The full InChI is InChI=1S/C18H17ClN4.C15H12ClN5.C15H12FN5.C14H11ClN4S.2C14H11FN4S/c1-12-3-8-16(13(2)9-12)17-11-23(18(20)22-17)21-10-14-4-6-15(19)7-5-14;2*16-13-5-3-11(4-6-13)8-19-21-10-14(20-15(21)17)12-2-1-7-18-9-12;2*15-12-3-1-10(2-4-12)7-17-19-8-13(18-14(19)16)11-5-6-20-9-11;15-11-5-3-10(4-6-11)8-17-19-9-12(18-14(19)16)13-2-1-7-20-13/h3-11H,1-2H3,(H2,20,22);2*1-10H,(H2,17,20);3*1-9H,(H2,16,18)/b21-10-;2*19-8-;2*17-7-;17-8-.
What are the key properties of 1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2,4-dimethylphenyl)imidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine?
1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2,4-dimethylphenyl)imidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine has a molecular weight of 1779.32 g/mol, XLogP of 20.06, 18 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2,4-dimethylphenyl)imidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine is sourced from PubChem (CID 172917817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).