1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine

C11H9Cl2FN4 — CID 168628758

IUPAC1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2c(Cl)ccc(Cl)c2F)c(N)n1
InChIInChI=1S/C11H9Cl2FN4/c1-6-5-18(11(15)17-6)16-4-7-8(12)2-3-9(13)10(7)14/h2-5H,1H3,(H2,15,17)
InChIKeyIUZISRWOJHSUGH-UHFFFAOYSA-N
MW287.12 g/mol
LogP3.10
Rot. Bonds2

About 1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628758) has the molecular formula C11H9Cl2FN4 and a molecular weight of 287.12 g/mol. Its IUPAC name is 1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628758
Molecular FormulaC11H9Cl2FN4
Molecular Weight287.12 g/mol
Exact Mass286.02
IUPAC Name1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2c(Cl)ccc(Cl)c2F)c(N)n1
InChIInChI=1S/C11H9Cl2FN4/c1-6-5-18(11(15)17-6)16-4-7-8(12)2-3-9(13)10(7)14/h2-5H,1H3,(H2,15,17)
InChIKeyIUZISRWOJHSUGH-UHFFFAOYSA-N
XLogP3.10
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628790
2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-3-bromo-4-chlorophenol
CID 168631325
1-[(3-bromo-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630140
1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630075
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]-trifluoroboranuide
CID 168628704
1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629507
1-[(2-ethynyl-6-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630860
1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628497
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dichlorophenol
CID 168630803
1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168600756
1-[(2-fluoro-5-methylsulfonylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631296

Frequently Asked Questions

What is the IUPAC name of 1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168628758) is 1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2c(Cl)ccc(Cl)c2F)c(N)n1.
What is the InChIKey of 1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is IUZISRWOJHSUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN4/c1-6-5-18(11(15)17-6)16-4-7-8(12)2-3-9(13)10(7)14/h2-5H,1H3,(H2,15,17).
What are the key properties of 1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 287.12 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).