4-N-(5-fluoro-2-methylphenyl)-2-methyl-1H-imidazole-4,5-diamine

C11H13FN4 — CID 82235483

IUPAC4-N-(5-fluoro-2-methylphenyl)-2-methyl-1H-imidazole-4,5-diamine
SMILESCc1nc(Nc2cc(F)ccc2C)c(N)[nH]1
InChIInChI=1S/C11H13FN4/c1-6-3-4-8(12)5-9(6)16-11-10(13)14-7(2)15-11/h3-5,16H,13H2,1-2H3,(H,14,15)
InChIKeyFZQMCRLNPHZQPH-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.49
Rot. Bonds2

About 4-N-(5-fluoro-2-methylphenyl)-2-methyl-1H-imidazole-4,5-diamine

4-N-(5-fluoro-2-methylphenyl)-2-methyl-1H-imidazole-4,5-diamine (PubChem CID 82235483) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-N-(5-fluoro-2-methylphenyl)-2-methyl-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name4-N-(5-fluoro-2-methylphenyl)-2-methyl-1H-imidazole-4,5-diamine
PubChem CID82235483
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name4-N-(5-fluoro-2-methylphenyl)-2-methyl-1H-imidazole-4,5-diamine
SMILESCc1nc(Nc2cc(F)ccc2C)c(N)[nH]1
InChIInChI=1S/C11H13FN4/c1-6-3-4-8(12)5-9(6)16-11-10(13)14-7(2)15-11/h3-5,16H,13H2,1-2H3,(H,14,15)
InChIKeyFZQMCRLNPHZQPH-UHFFFAOYSA-N
XLogP2.49
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine
CID 102985191
5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762276
N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927969
2-methyl-4-N-(3,4,5-trifluorophenyl)-1H-imidazole-4,5-diamine
CID 114996935
4-N-(5-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323664
3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile
CID 82816959
2-methyl-4-N-phenyl-1H-imidazole-4,5-diamine
CID 82235464
4-N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-4,5-diamine
CID 55011852
N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334873
N-(5-fluoro-2-methylphenyl)-5-methyl-1H-imidazol-2-amine
CID 106559294
6-chloro-2-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762277
2-N,2-N-diethyl-4-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80751307

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-fluoro-2-methylphenyl)-2-methyl-1H-imidazole-4,5-diamine?
The IUPAC name of 4-N-(5-fluoro-2-methylphenyl)-2-methyl-1H-imidazole-4,5-diamine (CID 82235483) is 4-N-(5-fluoro-2-methylphenyl)-2-methyl-1H-imidazole-4,5-diamine.
What is the SMILES notation for 4-N-(5-fluoro-2-methylphenyl)-2-methyl-1H-imidazole-4,5-diamine?
The canonical SMILES for 4-N-(5-fluoro-2-methylphenyl)-2-methyl-1H-imidazole-4,5-diamine is Cc1nc(Nc2cc(F)ccc2C)c(N)[nH]1.
What is the InChIKey of 4-N-(5-fluoro-2-methylphenyl)-2-methyl-1H-imidazole-4,5-diamine?
The InChIKey is FZQMCRLNPHZQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-6-3-4-8(12)5-9(6)16-11-10(13)14-7(2)15-11/h3-5,16H,13H2,1-2H3,(H,14,15).
What are the key properties of 4-N-(5-fluoro-2-methylphenyl)-2-methyl-1H-imidazole-4,5-diamine?
4-N-(5-fluoro-2-methylphenyl)-2-methyl-1H-imidazole-4,5-diamine has a molecular weight of 220.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-fluoro-2-methylphenyl)-2-methyl-1H-imidazole-4,5-diamine is sourced from PubChem (CID 82235483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).