2,3-difluoro-4-(2-methyl-1H-imidazol-5-yl)aniline

C10H9F2N3 — CID 167066939

IUPAC2,3-difluoro-4-(2-methyl-1H-imidazol-5-yl)aniline
SMILESCc1ncc(-c2ccc(N)c(F)c2F)[nH]1
InChIInChI=1S/C10H9F2N3/c1-5-14-4-8(15-5)6-2-3-7(13)10(12)9(6)11/h2-4H,13H2,1H3,(H,14,15)
InChIKeyCTBYRCSQVFVWDR-UHFFFAOYSA-N
MW209.20 g/mol
LogP2.25
Rot. Bonds1

About 2,3-difluoro-4-(2-methyl-1H-imidazol-5-yl)aniline

2,3-difluoro-4-(2-methyl-1H-imidazol-5-yl)aniline (PubChem CID 167066939) has the molecular formula C10H9F2N3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2,3-difluoro-4-(2-methyl-1H-imidazol-5-yl)aniline.

Molecular Properties

Compound Name2,3-difluoro-4-(2-methyl-1H-imidazol-5-yl)aniline
PubChem CID167066939
Molecular FormulaC10H9F2N3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2,3-difluoro-4-(2-methyl-1H-imidazol-5-yl)aniline
SMILESCc1ncc(-c2ccc(N)c(F)c2F)[nH]1
InChIInChI=1S/C10H9F2N3/c1-5-14-4-8(15-5)6-2-3-7(13)10(12)9(6)11/h2-4H,13H2,1H3,(H,14,15)
InChIKeyCTBYRCSQVFVWDR-UHFFFAOYSA-N
XLogP2.25
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-difluoro-4-(2-methyl-1H-imidazol-5-yl)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(2-methyl-1H-imidazol-5-yl)aniline?
The IUPAC name of 2,3-difluoro-4-(2-methyl-1H-imidazol-5-yl)aniline (CID 167066939) is 2,3-difluoro-4-(2-methyl-1H-imidazol-5-yl)aniline.
What is the SMILES notation for 2,3-difluoro-4-(2-methyl-1H-imidazol-5-yl)aniline?
The canonical SMILES for 2,3-difluoro-4-(2-methyl-1H-imidazol-5-yl)aniline is Cc1ncc(-c2ccc(N)c(F)c2F)[nH]1.
What is the InChIKey of 2,3-difluoro-4-(2-methyl-1H-imidazol-5-yl)aniline?
The InChIKey is CTBYRCSQVFVWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3/c1-5-14-4-8(15-5)6-2-3-7(13)10(12)9(6)11/h2-4H,13H2,1H3,(H,14,15).
What are the key properties of 2,3-difluoro-4-(2-methyl-1H-imidazol-5-yl)aniline?
2,3-difluoro-4-(2-methyl-1H-imidazol-5-yl)aniline has a molecular weight of 209.20 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(2-methyl-1H-imidazol-5-yl)aniline is sourced from PubChem (CID 167066939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).