(5R)-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pent-4-enoxyphenyl)-4H-imidazol-2-amine

C22H25F2N3O2 — CID 68718959

IUPAC(5R)-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pent-4-enoxyphenyl)-4H-imidazol-2-amine
SMILESC=CCCCOc1cccc([C@]2(c3ccc(OC(F)F)cc3)CN(C)C(N)=N2)c1
InChIInChI=1S/C22H25F2N3O2/c1-3-4-5-13-28-19-8-6-7-17(14-19)22(15-27(2)21(25)26-22)16-9-11-18(12-10-16)29-20(23)24/h3,6-12,14,20H,1,4-5,13,15H2,2H3,(H2,25,26)/t22-/m1/s1
InChIKeyLKIGOOYPMVGSEI-JOCHJYFZSA-N
MW401.46 g/mol
LogP4.14
Rot. Bonds9

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

(5R)-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pent-4-enoxyphenyl)-4H-imidazol-2-amine (PubChem CID 68718959) has the molecular formula C22H25F2N3O2 and a molecular weight of 401.46 g/mol. Its IUPAC name is (5R)-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pent-4-enoxyphenyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name(5R)-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pent-4-enoxyphenyl)-4H-imidazol-2-amine
PubChem CID68718959
Molecular FormulaC22H25F2N3O2
Molecular Weight401.46 g/mol
Exact Mass401.19
IUPAC Name(5R)-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pent-4-enoxyphenyl)-4H-imidazol-2-amine
SMILESC=CCCCOc1cccc([C@]2(c3ccc(OC(F)F)cc3)CN(C)C(N)=N2)c1
InChIInChI=1S/C22H25F2N3O2/c1-3-4-5-13-28-19-8-6-7-17(14-19)22(15-27(2)21(25)26-22)16-9-11-18(12-10-16)29-20(23)24/h3,6-12,14,20H,1,4-5,13,15H2,2H3,(H2,25,26)/t22-/m1/s1
InChIKeyLKIGOOYPMVGSEI-JOCHJYFZSA-N
XLogP4.14
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (5R)-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pent-4-enoxyphenyl)-4H-imidazol-2-amine?
The IUPAC name of (5R)-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pent-4-enoxyphenyl)-4H-imidazol-2-amine (CID 68718959) is (5R)-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pent-4-enoxyphenyl)-4H-imidazol-2-amine.
What is the SMILES notation for (5R)-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pent-4-enoxyphenyl)-4H-imidazol-2-amine?
The canonical SMILES for (5R)-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pent-4-enoxyphenyl)-4H-imidazol-2-amine is C=CCCCOc1cccc([C@]2(c3ccc(OC(F)F)cc3)CN(C)C(N)=N2)c1.
What is the InChIKey of (5R)-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pent-4-enoxyphenyl)-4H-imidazol-2-amine?
The InChIKey is LKIGOOYPMVGSEI-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25F2N3O2/c1-3-4-5-13-28-19-8-6-7-17(14-19)22(15-27(2)21(25)26-22)16-9-11-18(12-10-16)29-20(23)24/h3,6-12,14,20H,1,4-5,13,15H2,2H3,(H2,25,26)/t22-/m1/s1.
What are the key properties of (5R)-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pent-4-enoxyphenyl)-4H-imidazol-2-amine?
(5R)-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pent-4-enoxyphenyl)-4H-imidazol-2-amine has a molecular weight of 401.46 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pent-4-enoxyphenyl)-4H-imidazol-2-amine is sourced from PubChem (CID 68718959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).