(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pentylphenyl)imidazol-4-one

C22H25F2N3O2 — CID 52941021

IUPAC(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pentylphenyl)imidazol-4-one
SMILESCCCCCc1cccc([C@@]2(c3ccc(OC(F)F)cc3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C22H25F2N3O2/c1-3-4-5-7-15-8-6-9-17(14-15)22(19(28)27(2)21(25)26-22)16-10-12-18(13-11-16)29-20(23)24/h6,8-14,20H,3-5,7H2,1-2H3,(H2,25,26)/t22-/m1/s1
InChIKeyGPIGHALYCORADP-JOCHJYFZSA-N
MW401.46 g/mol
LogP4.05
Rot. Bonds8

About (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pentylphenyl)imidazol-4-one

(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pentylphenyl)imidazol-4-one (PubChem CID 52941021) has the molecular formula C22H25F2N3O2 and a molecular weight of 401.46 g/mol. Its IUPAC name is (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pentylphenyl)imidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pentylphenyl)imidazol-4-one
PubChem CID52941021
Molecular FormulaC22H25F2N3O2
Molecular Weight401.46 g/mol
Exact Mass401.19
IUPAC Name(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pentylphenyl)imidazol-4-one
SMILESCCCCCc1cccc([C@@]2(c3ccc(OC(F)F)cc3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C22H25F2N3O2/c1-3-4-5-7-15-8-6-9-17(14-15)22(19(28)27(2)21(25)26-22)16-10-12-18(13-11-16)29-20(23)24/h6,8-14,20H,3-5,7H2,1-2H3,(H2,25,26)/t22-/m1/s1
InChIKeyGPIGHALYCORADP-JOCHJYFZSA-N
XLogP4.05
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.05
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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Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pentylphenyl)imidazol-4-one?
The IUPAC name of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pentylphenyl)imidazol-4-one (CID 52941021) is (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pentylphenyl)imidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pentylphenyl)imidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pentylphenyl)imidazol-4-one is CCCCCc1cccc([C@@]2(c3ccc(OC(F)F)cc3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pentylphenyl)imidazol-4-one?
The InChIKey is GPIGHALYCORADP-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25F2N3O2/c1-3-4-5-7-15-8-6-9-17(14-15)22(19(28)27(2)21(25)26-22)16-10-12-18(13-11-16)29-20(23)24/h6,8-14,20H,3-5,7H2,1-2H3,(H2,25,26)/t22-/m1/s1.
What are the key properties of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pentylphenyl)imidazol-4-one?
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pentylphenyl)imidazol-4-one has a molecular weight of 401.46 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pentylphenyl)imidazol-4-one is sourced from PubChem (CID 52941021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).