4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine

C10H11FN4 — CID 115024516

IUPAC4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine
SMILESCc1[nH]c(N)nc1-c1ccc(F)c(N)c1
InChIInChI=1S/C10H11FN4/c1-5-9(15-10(13)14-5)6-2-3-7(11)8(12)4-6/h2-4H,12H2,1H3,(H3,13,14,15)
InChIKeyQTLQEPIIJDZFBM-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.69
Rot. Bonds1

About 4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine

4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine (PubChem CID 115024516) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine.

Molecular Properties

Compound Name4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine
PubChem CID115024516
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine
SMILESCc1[nH]c(N)nc1-c1ccc(F)c(N)c1
InChIInChI=1S/C10H11FN4/c1-5-9(15-10(13)14-5)6-2-3-7(11)8(12)4-6/h2-4H,12H2,1H3,(H3,13,14,15)
InChIKeyQTLQEPIIJDZFBM-UHFFFAOYSA-N
XLogP1.69
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-5-methyl-1H-imidazol-4-yl)benzene-1,2-diol
CID 115023925
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-imidazol-2-amine
CID 82471020
3-(2-amino-5-methyl-1H-imidazol-4-yl)benzaldehyde
CID 105453451
5-methyl-4-(4-propan-2-ylphenyl)-1H-imidazol-2-amine
CID 82471370
2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline
CID 115049958
2-amino-4-(3,4-difluorophenyl)-1H-imidazole-5-carboxylic acid
CID 82477054
2-fluoro-5-(2-methylphenyl)aniline
CID 82076476
6-(2-amino-5-methyl-1H-imidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82482606
2-fluoro-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 79795786
[2-fluoro-5-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]methanamine
CID 115050749
5-(3-amino-4-fluorophenyl)-1H-1,2,4-triazol-3-amine
CID 61319952
2-amino-4-(2-cyclopropyl-5-methyl-1H-imidazol-4-yl)phenol
CID 115037204

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine?
The IUPAC name of 4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine (CID 115024516) is 4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine.
What is the SMILES notation for 4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine?
The canonical SMILES for 4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine is Cc1[nH]c(N)nc1-c1ccc(F)c(N)c1.
What is the InChIKey of 4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine?
The InChIKey is QTLQEPIIJDZFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-5-9(15-10(13)14-5)6-2-3-7(11)8(12)4-6/h2-4H,12H2,1H3,(H3,13,14,15).
What are the key properties of 4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine?
4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine has a molecular weight of 206.22 g/mol, XLogP of 1.69, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine is sourced from PubChem (CID 115024516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).