1-cyclopropyl-N-(3-fluoro-4-methylphenyl)imidazol-2-amine

C13H14FN3 — CID 106559430

IUPAC1-cyclopropyl-N-(3-fluoro-4-methylphenyl)imidazol-2-amine
SMILESCc1ccc(Nc2nccn2C2CC2)cc1F
InChIInChI=1S/C13H14FN3/c1-9-2-3-10(8-12(9)14)16-13-15-6-7-17(13)11-4-5-11/h2-3,6-8,11H,4-5H2,1H3,(H,15,16)
InChIKeyHOEXLXSYYIAQNM-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.41
Rot. Bonds3

About 1-cyclopropyl-N-(3-fluoro-4-methylphenyl)imidazol-2-amine

1-cyclopropyl-N-(3-fluoro-4-methylphenyl)imidazol-2-amine (PubChem CID 106559430) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3-fluoro-4-methylphenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(3-fluoro-4-methylphenyl)imidazol-2-amine
PubChem CID106559430
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name1-cyclopropyl-N-(3-fluoro-4-methylphenyl)imidazol-2-amine
SMILESCc1ccc(Nc2nccn2C2CC2)cc1F
InChIInChI=1S/C13H14FN3/c1-9-2-3-10(8-12(9)14)16-13-15-6-7-17(13)11-4-5-11/h2-3,6-8,11H,4-5H2,1H3,(H,15,16)
InChIKeyHOEXLXSYYIAQNM-UHFFFAOYSA-N
XLogP3.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-(4-fluorophenyl)imidazol-2-amine
CID 106558712
1-cyclopentyl-N-(4-fluorophenyl)imidazol-2-amine
CID 106558725
1-cyclopropyl-N-(4-iodophenyl)imidazol-2-amine
CID 106554182
1-cyclohexyl-N-(2,5-difluoro-4-methylphenyl)imidazol-2-amine
CID 106583654
1-cyclopropyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557354
1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazol-2-amine
CID 106557535
1-cyclopropyl-N-[4-(trifluoromethoxy)phenyl]imidazol-2-amine
CID 106557392
N-(4-bromophenyl)-1-cyclohexylimidazol-2-amine
CID 106558625
N-(3-bromo-4-methoxyphenyl)-1-cyclohexylimidazol-2-amine
CID 106573937
1-cyclopentyl-N-(2,5-difluorophenyl)imidazol-2-amine
CID 106556885
1-cyclooctyl-N-phenylimidazol-2-amine
CID 106557142
N-(1-cyclopropylimidazol-2-yl)-2,6-dimethylpyridin-3-amine
CID 106576575

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3-fluoro-4-methylphenyl)imidazol-2-amine?
The IUPAC name of 1-cyclopropyl-N-(3-fluoro-4-methylphenyl)imidazol-2-amine (CID 106559430) is 1-cyclopropyl-N-(3-fluoro-4-methylphenyl)imidazol-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-(3-fluoro-4-methylphenyl)imidazol-2-amine?
The canonical SMILES for 1-cyclopropyl-N-(3-fluoro-4-methylphenyl)imidazol-2-amine is Cc1ccc(Nc2nccn2C2CC2)cc1F.
What is the InChIKey of 1-cyclopropyl-N-(3-fluoro-4-methylphenyl)imidazol-2-amine?
The InChIKey is HOEXLXSYYIAQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-9-2-3-10(8-12(9)14)16-13-15-6-7-17(13)11-4-5-11/h2-3,6-8,11H,4-5H2,1H3,(H,15,16).
What are the key properties of 1-cyclopropyl-N-(3-fluoro-4-methylphenyl)imidazol-2-amine?
1-cyclopropyl-N-(3-fluoro-4-methylphenyl)imidazol-2-amine has a molecular weight of 231.27 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3-fluoro-4-methylphenyl)imidazol-2-amine is sourced from PubChem (CID 106559430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).