2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-methylphenyl)imidazol-4-one;2-methylguanidine;hydrochloride

C20H25ClF2N6O2 — CID 158457531

IUPAC2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-methylphenyl)imidazol-4-one;2-methylguanidine;hydrochloride
SMILESCN=C(N)N.Cc1cccc(C2(c3ccc(OC(F)F)cc3)N=C(N)N(C)C2=O)c1.Cl
InChIInChI=1S/C18H17F2N3O2.C2H7N3.ClH/c1-11-4-3-5-13(10-11)18(15(24)23(2)17(21)22-18)12-6-8-14(9-7-12)25-16(19)20;1-5-2(3)4;/h3-10,16H,1-2H3,(H2,21,22);1H3,(H4,3,4,5);1H
InChIKeyHETIYTWEFKWIJB-UHFFFAOYSA-N
MW454.91 g/mol
LogP1.94
Rot. Bonds4

About 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-methylphenyl)imidazol-4-one;2-methylguanidine;hydrochloride

2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-methylphenyl)imidazol-4-one;2-methylguanidine;hydrochloride (PubChem CID 158457531) has the molecular formula C20H25ClF2N6O2 and a molecular weight of 454.91 g/mol. Its IUPAC name is 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-methylphenyl)imidazol-4-one;2-methylguanidine;hydrochloride.

Molecular Properties

Compound Name2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-methylphenyl)imidazol-4-one;2-methylguanidine;hydrochloride
PubChem CID158457531
Molecular FormulaC20H25ClF2N6O2
Molecular Weight454.91 g/mol
Exact Mass454.17
IUPAC Name2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-methylphenyl)imidazol-4-one;2-methylguanidine;hydrochloride
SMILESCN=C(N)N.Cc1cccc(C2(c3ccc(OC(F)F)cc3)N=C(N)N(C)C2=O)c1.Cl
InChIInChI=1S/C18H17F2N3O2.C2H7N3.ClH/c1-11-4-3-5-13(10-11)18(15(24)23(2)17(21)22-18)12-6-8-14(9-7-12)25-16(19)20;1-5-2(3)4;/h3-10,16H,1-2H3,(H2,21,22);1H3,(H4,3,4,5);1H
InChIKeyHETIYTWEFKWIJB-UHFFFAOYSA-N
XLogP1.94
TPSA132.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-methylphenyl)imidazol-4-one;2-methylguanidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3-fluoroprop-1-ynyl)phenyl]-3-methylimidazol-4-one
CID 52944411
2-amino-5-[4-(difluoromethoxy)phenyl]-5-(3-hydroxyphenyl)-3-methylimidazol-4-one;1-[4-(difluoromethoxy)phenyl]-2-(3-hydroxyphenyl)ethane-1,2-dione
CID 159895842
2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3-hydroxybutyl)phenyl]-3-methylimidazol-4-one
CID 67565324
2-amino-5-[3-[(E)-2-cyclopropyl-1-fluoroethenyl]phenyl]-5-[4-(difluoromethoxy)phenyl]-3-methylimidazol-4-one
CID 25196989
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3-methylbut-3-enoxy)phenyl]imidazol-4-one
CID 25127296
N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]-2,2,2-trichloroacetamide
CID 25124636
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(6-hydroxyhex-1-ynyl)phenyl]-3-methylimidazol-4-one
CID 52944682
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-[(E)-4-fluorobut-1-enyl]phenyl]-3-methylimidazol-4-one
CID 52940974
2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(4-ethoxybutan-2-yl)phenyl]-3-methylimidazol-4-one
CID 25123320
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 52944484
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(2-methylbut-3-enoxy)phenyl]imidazol-4-one
CID 25127295
2-[3-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]cyclobutylidene]acetaldehyde
CID 89001446

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-methylphenyl)imidazol-4-one;2-methylguanidine;hydrochloride?
The IUPAC name of 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-methylphenyl)imidazol-4-one;2-methylguanidine;hydrochloride (CID 158457531) is 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-methylphenyl)imidazol-4-one;2-methylguanidine;hydrochloride.
What is the SMILES notation for 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-methylphenyl)imidazol-4-one;2-methylguanidine;hydrochloride?
The canonical SMILES for 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-methylphenyl)imidazol-4-one;2-methylguanidine;hydrochloride is CN=C(N)N.Cc1cccc(C2(c3ccc(OC(F)F)cc3)N=C(N)N(C)C2=O)c1.Cl.
What is the InChIKey of 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-methylphenyl)imidazol-4-one;2-methylguanidine;hydrochloride?
The InChIKey is HETIYTWEFKWIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2.C2H7N3.ClH/c1-11-4-3-5-13(10-11)18(15(24)23(2)17(21)22-18)12-6-8-14(9-7-12)25-16(19)20;1-5-2(3)4;/h3-10,16H,1-2H3,(H2,21,22);1H3,(H4,3,4,5);1H.
What are the key properties of 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-methylphenyl)imidazol-4-one;2-methylguanidine;hydrochloride?
2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-methylphenyl)imidazol-4-one;2-methylguanidine;hydrochloride has a molecular weight of 454.91 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-methylphenyl)imidazol-4-one;2-methylguanidine;hydrochloride is sourced from PubChem (CID 158457531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).