1-[[2-(4-fluorophenyl)sulfanyl-5-nitrophenyl]methylideneamino]-4-methylimidazol-2-amine

C17H14FN5O2S — CID 168631390

IUPAC1-[[2-(4-fluorophenyl)sulfanyl-5-nitrophenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)c(N)n1
InChIInChI=1S/C17H14FN5O2S/c1-11-10-22(17(19)21-11)20-9-12-8-14(23(24)25)4-7-16(12)26-15-5-2-13(18)3-6-15/h2-10H,1H3,(H2,19,21)
InChIKeyZDNJGWUYNJGOCL-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.85
Rot. Bonds5

About 1-[[2-(4-fluorophenyl)sulfanyl-5-nitrophenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[2-(4-fluorophenyl)sulfanyl-5-nitrophenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168631390) has the molecular formula C17H14FN5O2S and a molecular weight of 371.40 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)sulfanyl-5-nitrophenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)sulfanyl-5-nitrophenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168631390
Molecular FormulaC17H14FN5O2S
Molecular Weight371.40 g/mol
Exact Mass371.09
IUPAC Name1-[[2-(4-fluorophenyl)sulfanyl-5-nitrophenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)c(N)n1
InChIInChI=1S/C17H14FN5O2S/c1-11-10-22(17(19)21-11)20-9-12-8-14(23(24)25)4-7-16(12)26-15-5-2-13(18)3-6-15/h2-10H,1H3,(H2,19,21)
InChIKeyZDNJGWUYNJGOCL-UHFFFAOYSA-N
XLogP3.85
TPSA99.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168631022
1-[(2-cyclohexylsulfanyl-5-nitrophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631004
1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628497
1-[(2-bromo-5-fluoro-4-nitrophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631357
2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-4-(4-fluorophenyl)phenol
CID 168631348
N-(4-methylphenyl)-1-[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methanimine
CID 126125677
1-[(2-fluoro-5-methylsulfonylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631296
(E)-1-(5-nitro-2-phenylsulfanylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 21381198
4-methyl-1-[[2-(2-nitrophenoxy)phenyl]methylideneamino]imidazol-2-amine
CID 168629881
2-[[2-(4-fluorophenyl)sulfanyl-5-nitrophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574539
3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-nitrobenzoic acid
CID 168630884
1-[(5-fluoro-2-morpholin-4-ylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630786

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)sulfanyl-5-nitrophenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[2-(4-fluorophenyl)sulfanyl-5-nitrophenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168631390) is 1-[[2-(4-fluorophenyl)sulfanyl-5-nitrophenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)sulfanyl-5-nitrophenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[2-(4-fluorophenyl)sulfanyl-5-nitrophenyl]methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)c(N)n1.
What is the InChIKey of 1-[[2-(4-fluorophenyl)sulfanyl-5-nitrophenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is ZDNJGWUYNJGOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2S/c1-11-10-22(17(19)21-11)20-9-12-8-14(23(24)25)4-7-16(12)26-15-5-2-13(18)3-6-15/h2-10H,1H3,(H2,19,21).
What are the key properties of 1-[[2-(4-fluorophenyl)sulfanyl-5-nitrophenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[2-(4-fluorophenyl)sulfanyl-5-nitrophenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 371.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)sulfanyl-5-nitrophenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168631390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).