5-(3-but-3-enylphenyl)-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine

C21H23F2N3O — CID 68719814

IUPAC5-(3-but-3-enylphenyl)-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine
SMILESC=CCCc1cccc(C2(c3ccc(OC(F)F)cc3)CN(C)C(N)=N2)c1
InChIInChI=1S/C21H23F2N3O/c1-3-4-6-15-7-5-8-17(13-15)21(14-26(2)20(24)25-21)16-9-11-18(12-10-16)27-19(22)23/h3,5,7-13,19H,1,4,6,14H2,2H3,(H2,24,25)
InChIKeyYBFTWTRPJNBIQM-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.91
Rot. Bonds7

About 5-(3-but-3-enylphenyl)-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine

5-(3-but-3-enylphenyl)-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine (PubChem CID 68719814) has the molecular formula C21H23F2N3O and a molecular weight of 371.43 g/mol. Its IUPAC name is 5-(3-but-3-enylphenyl)-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3-but-3-enylphenyl)-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine
PubChem CID68719814
Molecular FormulaC21H23F2N3O
Molecular Weight371.43 g/mol
Exact Mass371.18
IUPAC Name5-(3-but-3-enylphenyl)-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine
SMILESC=CCCc1cccc(C2(c3ccc(OC(F)F)cc3)CN(C)C(N)=N2)c1
InChIInChI=1S/C21H23F2N3O/c1-3-4-6-15-7-5-8-17(13-15)21(14-26(2)20(24)25-21)16-9-11-18(12-10-16)27-19(22)23/h3,5,7-13,19H,1,4,6,14H2,2H3,(H2,24,25)
InChIKeyYBFTWTRPJNBIQM-UHFFFAOYSA-N
XLogP3.91
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-but-3-enylphenyl)-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-(3-but-3-enylphenyl)-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine (CID 68719814) is 5-(3-but-3-enylphenyl)-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(3-but-3-enylphenyl)-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(3-but-3-enylphenyl)-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine is C=CCCc1cccc(C2(c3ccc(OC(F)F)cc3)CN(C)C(N)=N2)c1.
What is the InChIKey of 5-(3-but-3-enylphenyl)-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine?
The InChIKey is YBFTWTRPJNBIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O/c1-3-4-6-15-7-5-8-17(13-15)21(14-26(2)20(24)25-21)16-9-11-18(12-10-16)27-19(22)23/h3,5,7-13,19H,1,4,6,14H2,2H3,(H2,24,25).
What are the key properties of 5-(3-but-3-enylphenyl)-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine?
5-(3-but-3-enylphenyl)-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine has a molecular weight of 371.43 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-but-3-enylphenyl)-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 68719814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).