1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine

C11H9ClF2N4 — CID 168628790

IUPAC1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(F)c(Cl)c2F)c(N)n1
InChIInChI=1S/C11H9ClF2N4/c1-6-5-18(11(15)17-6)16-4-7-2-3-8(13)9(12)10(7)14/h2-5H,1H3,(H2,15,17)
InChIKeyPZBRGVNZORQUBV-UHFFFAOYSA-N
MW270.67 g/mol
LogP2.59
Rot. Bonds2

About 1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628790) has the molecular formula C11H9ClF2N4 and a molecular weight of 270.67 g/mol. Its IUPAC name is 1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628790
Molecular FormulaC11H9ClF2N4
Molecular Weight270.67 g/mol
Exact Mass270.05
IUPAC Name1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(F)c(Cl)c2F)c(N)n1
InChIInChI=1S/C11H9ClF2N4/c1-6-5-18(11(15)17-6)16-4-7-2-3-8(13)9(12)10(7)14/h2-5H,1H3,(H2,15,17)
InChIKeyPZBRGVNZORQUBV-UHFFFAOYSA-N
XLogP2.59
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(3-bromo-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630140
1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628497
6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-bromo-3-fluorophenol
CID 168631311
1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628758
1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168600756
1-[(2-fluoro-5-methylsulfonylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631296
1-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629406
1-[(7-fluoroquinolin-6-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168629682
1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629507
1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628889
1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628979
1-[(4-chloroquinazolin-6-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168631298

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168628790) is 1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2ccc(F)c(Cl)c2F)c(N)n1.
What is the InChIKey of 1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is PZBRGVNZORQUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N4/c1-6-5-18(11(15)17-6)16-4-7-2-3-8(13)9(12)10(7)14/h2-5H,1H3,(H2,15,17).
What are the key properties of 1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 270.67 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).