5-(3,5-dimethylcyclohex-3-en-1-yl)-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine

C17H22FN3 — CID 103277947

IUPAC5-(3,5-dimethylcyclohex-3-en-1-yl)-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESCC1=CC(C)CC(C2CN=C(N)N2c2ccccc2F)C1
InChIInChI=1S/C17H22FN3/c1-11-7-12(2)9-13(8-11)16-10-20-17(19)21(16)15-6-4-3-5-14(15)18/h3-7,11,13,16H,8-10H2,1-2H3,(H2,19,20)
InChIKeyFBPTVFFUJWODNS-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.32
Rot. Bonds2

About 5-(3,5-dimethylcyclohex-3-en-1-yl)-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine

5-(3,5-dimethylcyclohex-3-en-1-yl)-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 103277947) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 5-(3,5-dimethylcyclohex-3-en-1-yl)-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(3,5-dimethylcyclohex-3-en-1-yl)-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID103277947
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name5-(3,5-dimethylcyclohex-3-en-1-yl)-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESCC1=CC(C)CC(C2CN=C(N)N2c2ccccc2F)C1
InChIInChI=1S/C17H22FN3/c1-11-7-12(2)9-13(8-11)16-10-20-17(19)21(16)15-6-4-3-5-14(15)18/h3-7,11,13,16H,8-10H2,1-2H3,(H2,19,20)
InChIKeyFBPTVFFUJWODNS-UHFFFAOYSA-N
XLogP3.32
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopentyl-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79521373
1-(2-fluorophenyl)-5-methyl-4,5-dihydroimidazol-2-amine
CID 79521205
1-(2-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydroimidazol-2-amine
CID 104772272
5-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79521371
1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79500811
1-(2-bromophenyl)-5-(oxan-4-yl)-4,5-dihydroimidazol-2-amine
CID 79514472
5-methyl-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79505477
1-(2-fluorophenyl)-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine
CID 79521547
5-(3-chloro-5-fluorophenyl)-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 114455184
5-cyclopropyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79520573
1-(2-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine
CID 79505650
2-[4-[2-amino-3-(2-fluorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol
CID 79501283

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylcyclohex-3-en-1-yl)-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(3,5-dimethylcyclohex-3-en-1-yl)-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine (CID 103277947) is 5-(3,5-dimethylcyclohex-3-en-1-yl)-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(3,5-dimethylcyclohex-3-en-1-yl)-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(3,5-dimethylcyclohex-3-en-1-yl)-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine is CC1=CC(C)CC(C2CN=C(N)N2c2ccccc2F)C1.
What is the InChIKey of 5-(3,5-dimethylcyclohex-3-en-1-yl)-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is FBPTVFFUJWODNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-11-7-12(2)9-13(8-11)16-10-20-17(19)21(16)15-6-4-3-5-14(15)18/h3-7,11,13,16H,8-10H2,1-2H3,(H2,19,20).
What are the key properties of 5-(3,5-dimethylcyclohex-3-en-1-yl)-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine?
5-(3,5-dimethylcyclohex-3-en-1-yl)-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylcyclohex-3-en-1-yl)-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 103277947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).