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

C12H16FN3 — CID 112680367

IUPAC5-ethyl-5-(2-fluorophenyl)-1-methyl-4H-imidazol-2-amine
SMILESCCC1(c2ccccc2F)CN=C(N)N1C
InChIInChI=1S/C12H16FN3/c1-3-12(8-15-11(14)16(12)2)9-6-4-5-7-10(9)13/h4-7H,3,8H2,1-2H3,(H2,14,15)
InChIKeyHTBBBOCGHLOGGQ-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.69
Rot. Bonds2

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

5-ethyl-5-(2-fluorophenyl)-1-methyl-4H-imidazol-2-amine (PubChem CID 112680367) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-ethyl-5-(2-fluorophenyl)-1-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-ethyl-5-(2-fluorophenyl)-1-methyl-4H-imidazol-2-amine
PubChem CID112680367
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name5-ethyl-5-(2-fluorophenyl)-1-methyl-4H-imidazol-2-amine
SMILESCCC1(c2ccccc2F)CN=C(N)N1C
InChIInChI=1S/C12H16FN3/c1-3-12(8-15-11(14)16(12)2)9-6-4-5-7-10(9)13/h4-7H,3,8H2,1-2H3,(H2,14,15)
InChIKeyHTBBBOCGHLOGGQ-UHFFFAOYSA-N
XLogP1.69
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-5-(2-fluorophenyl)-1,4-dihydroimidazol-2-amine
CID 112680364
5-ethyl-5-(4-ethylphenyl)-1-propyl-4H-imidazol-2-amine
CID 79509520
1-cyclopropyl-5-ethyl-5-(3-fluorophenyl)-4H-imidazol-2-amine
CID 114873226
4-(2-amino-1,5-diethyl-4H-imidazol-5-yl)phenol
CID 79510374
5-(2-bromophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine
CID 79509285
5-(2,6-difluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
CID 79504623
1,5-diphenyl-5-propyl-4H-imidazol-2-amine
CID 79503025
(6S)-5,5-difluoro-6-(fluoromethyl)-6-(2-fluorophenyl)-4H-1,3-oxazin-2-amine
CID 71092927
1-[2-(diethylamino)ethyl]-5-methyl-5-(2-methylphenyl)-4H-imidazol-2-amine
CID 79502878
1'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
CID 79509921
4-fluoro-1-(2-fluorophenyl)-4-methylcyclohexan-1-amine
CID 115034996
5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine
CID 79505259

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(2-fluorophenyl)-1-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-ethyl-5-(2-fluorophenyl)-1-methyl-4H-imidazol-2-amine (CID 112680367) is 5-ethyl-5-(2-fluorophenyl)-1-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-ethyl-5-(2-fluorophenyl)-1-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-ethyl-5-(2-fluorophenyl)-1-methyl-4H-imidazol-2-amine is CCC1(c2ccccc2F)CN=C(N)N1C.
What is the InChIKey of 5-ethyl-5-(2-fluorophenyl)-1-methyl-4H-imidazol-2-amine?
The InChIKey is HTBBBOCGHLOGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c1-3-12(8-15-11(14)16(12)2)9-6-4-5-7-10(9)13/h4-7H,3,8H2,1-2H3,(H2,14,15).
What are the key properties of 5-ethyl-5-(2-fluorophenyl)-1-methyl-4H-imidazol-2-amine?
5-ethyl-5-(2-fluorophenyl)-1-methyl-4H-imidazol-2-amine has a molecular weight of 221.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(2-fluorophenyl)-1-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 112680367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).