5-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine

C17H18FN3 — CID 79502343

IUPAC5-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESCc1ccc(C2CN=C(N)N2c2cccc(F)c2)cc1C
InChIInChI=1S/C17H18FN3/c1-11-6-7-13(8-12(11)2)16-10-20-17(19)21(16)15-5-3-4-14(18)9-15/h3-9,16H,10H2,1-2H3,(H2,19,20)
InChIKeyXNLOYXMFEHVIGU-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.32
Rot. Bonds2

About 5-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine

5-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79502343) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79502343
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name5-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESCc1ccc(C2CN=C(N)N2c2cccc(F)c2)cc1C
InChIInChI=1S/C17H18FN3/c1-11-6-7-13(8-12(11)2)16-10-20-17(19)21(16)15-5-3-4-14(18)9-15/h3-9,16H,10H2,1-2H3,(H2,19,20)
InChIKeyXNLOYXMFEHVIGU-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 ≤ 500283.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine (CID 79502343) is 5-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine is Cc1ccc(C2CN=C(N)N2c2cccc(F)c2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is XNLOYXMFEHVIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c1-11-6-7-13(8-12(11)2)16-10-20-17(19)21(16)15-5-3-4-14(18)9-15/h3-9,16H,10H2,1-2H3,(H2,19,20).
What are the key properties of 5-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine?
5-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 283.35 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-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79502343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).