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

C23H27F2N3O — CID 68735881

IUPAC5-[4-(difluoromethoxy)phenyl]-5-(3-hex-5-enylphenyl)-3-methyl-4H-imidazol-2-amine
SMILESC=CCCCCc1cccc(C2(c3ccc(OC(F)F)cc3)CN(C)C(N)=N2)c1
InChIInChI=1S/C23H27F2N3O/c1-3-4-5-6-8-17-9-7-10-19(15-17)23(16-28(2)22(26)27-23)18-11-13-20(14-12-18)29-21(24)25/h3,7,9-15,21H,1,4-6,8,16H2,2H3,(H2,26,27)
InChIKeyLFBYBGJCTXBFPD-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.69
Rot. Bonds9

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

5-[4-(difluoromethoxy)phenyl]-5-(3-hex-5-enylphenyl)-3-methyl-4H-imidazol-2-amine (PubChem CID 68735881) has the molecular formula C23H27F2N3O and a molecular weight of 399.49 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-5-(3-hex-5-enylphenyl)-3-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-5-(3-hex-5-enylphenyl)-3-methyl-4H-imidazol-2-amine
PubChem CID68735881
Molecular FormulaC23H27F2N3O
Molecular Weight399.49 g/mol
Exact Mass399.21
IUPAC Name5-[4-(difluoromethoxy)phenyl]-5-(3-hex-5-enylphenyl)-3-methyl-4H-imidazol-2-amine
SMILESC=CCCCCc1cccc(C2(c3ccc(OC(F)F)cc3)CN(C)C(N)=N2)c1
InChIInChI=1S/C23H27F2N3O/c1-3-4-5-6-8-17-9-7-10-19(15-17)23(16-28(2)22(26)27-23)18-11-13-20(14-12-18)29-21(24)25/h3,7,9-15,21H,1,4-6,8,16H2,2H3,(H2,26,27)
InChIKeyLFBYBGJCTXBFPD-UHFFFAOYSA-N
XLogP4.69
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-5-(3-hex-5-enylphenyl)-3-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-5-(3-hex-5-enylphenyl)-3-methyl-4H-imidazol-2-amine (CID 68735881) is 5-[4-(difluoromethoxy)phenyl]-5-(3-hex-5-enylphenyl)-3-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-5-(3-hex-5-enylphenyl)-3-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-5-(3-hex-5-enylphenyl)-3-methyl-4H-imidazol-2-amine is C=CCCCCc1cccc(C2(c3ccc(OC(F)F)cc3)CN(C)C(N)=N2)c1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-5-(3-hex-5-enylphenyl)-3-methyl-4H-imidazol-2-amine?
The InChIKey is LFBYBGJCTXBFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O/c1-3-4-5-6-8-17-9-7-10-19(15-17)23(16-28(2)22(26)27-23)18-11-13-20(14-12-18)29-21(24)25/h3,7,9-15,21H,1,4-6,8,16H2,2H3,(H2,26,27).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-5-(3-hex-5-enylphenyl)-3-methyl-4H-imidazol-2-amine?
5-[4-(difluoromethoxy)phenyl]-5-(3-hex-5-enylphenyl)-3-methyl-4H-imidazol-2-amine has a molecular weight of 399.49 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-5-(3-hex-5-enylphenyl)-3-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 68735881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).