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

C21H24F3N3O — CID 141167351

IUPAC5-[4-(difluoromethoxy)phenyl]-5-[3-(4-fluorobutyl)phenyl]-3-methyl-4H-imidazol-2-amine
SMILESCN1CC(c2ccc(OC(F)F)cc2)(c2cccc(CCCCF)c2)N=C1N
InChIInChI=1S/C21H24F3N3O/c1-27-14-21(26-20(27)25,16-8-10-18(11-9-16)28-19(23)24)17-7-4-6-15(13-17)5-2-3-12-22/h4,6-11,13,19H,2-3,5,12,14H2,1H3,(H2,25,26)
InChIKeyUDJMITPORTWGAL-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.08
Rot. Bonds8

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

5-[4-(difluoromethoxy)phenyl]-5-[3-(4-fluorobutyl)phenyl]-3-methyl-4H-imidazol-2-amine (PubChem CID 141167351) has the molecular formula C21H24F3N3O and a molecular weight of 391.44 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-5-[3-(4-fluorobutyl)phenyl]-3-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-5-[3-(4-fluorobutyl)phenyl]-3-methyl-4H-imidazol-2-amine
PubChem CID141167351
Molecular FormulaC21H24F3N3O
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC Name5-[4-(difluoromethoxy)phenyl]-5-[3-(4-fluorobutyl)phenyl]-3-methyl-4H-imidazol-2-amine
SMILESCN1CC(c2ccc(OC(F)F)cc2)(c2cccc(CCCCF)c2)N=C1N
InChIInChI=1S/C21H24F3N3O/c1-27-14-21(26-20(27)25,16-8-10-18(11-9-16)28-19(23)24)17-7-4-6-15(13-17)5-2-3-12-22/h4,6-11,13,19H,2-3,5,12,14H2,1H3,(H2,25,26)
InChIKeyUDJMITPORTWGAL-UHFFFAOYSA-N
XLogP4.08
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(difluoromethoxy)phenyl]-5-[3-(6-fluorohexyl)phenyl]-3-methyl-4H-imidazol-2-amine
CID 141167360
5-[4-(difluoromethoxy)phenyl]-5-(3-hex-5-enylphenyl)-3-methyl-4H-imidazol-2-amine
CID 68735881
5-(3-anilinophenyl)-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine
CID 141217605
5-[4-(difluoromethoxy)-3-(2-fluoroethyl)phenyl]-3-methyl-5-phenyl-4H-imidazol-2-amine
CID 141215323
(5S)-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine
CID 151231761
(5S)-2-amino-5-[3-cyclopropyl-4-(difluoromethoxy)phenyl]-5-[3-(3-fluoropropyl)phenyl]-3-methylimidazol-4-one
CID 71032779
[3-[2-amino-5-(3-bromophenyl)-3-methyl-4H-imidazol-5-yl]phenyl]methanol
CID 141178334
2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3-hydroxybutyl)phenyl]-3-methylimidazol-4-one
CID 67565324
5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenyl-4H-imidazol-2-amine
CID 141178336
CID 89180300
CID 89180300
5-(3-butoxy-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine
CID 141128107
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-[(E)-4-fluorobut-1-enyl]phenyl]-3-methylimidazol-4-one
CID 52940974

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-5-[3-(4-fluorobutyl)phenyl]-3-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-5-[3-(4-fluorobutyl)phenyl]-3-methyl-4H-imidazol-2-amine (CID 141167351) is 5-[4-(difluoromethoxy)phenyl]-5-[3-(4-fluorobutyl)phenyl]-3-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-5-[3-(4-fluorobutyl)phenyl]-3-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-5-[3-(4-fluorobutyl)phenyl]-3-methyl-4H-imidazol-2-amine is CN1CC(c2ccc(OC(F)F)cc2)(c2cccc(CCCCF)c2)N=C1N.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-5-[3-(4-fluorobutyl)phenyl]-3-methyl-4H-imidazol-2-amine?
The InChIKey is UDJMITPORTWGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O/c1-27-14-21(26-20(27)25,16-8-10-18(11-9-16)28-19(23)24)17-7-4-6-15(13-17)5-2-3-12-22/h4,6-11,13,19H,2-3,5,12,14H2,1H3,(H2,25,26).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-5-[3-(4-fluorobutyl)phenyl]-3-methyl-4H-imidazol-2-amine?
5-[4-(difluoromethoxy)phenyl]-5-[3-(4-fluorobutyl)phenyl]-3-methyl-4H-imidazol-2-amine has a molecular weight of 391.44 g/mol, XLogP of 4.08, 8 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-(4-fluorobutyl)phenyl]-3-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 141167351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).