1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine

C18H19F2N3O — CID 113248396

IUPAC1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2ccccc2OC(F)F)CN=C(N)N1Cc1ccccc1
InChIInChI=1S/C18H19F2N3O/c1-18(14-9-5-6-10-15(14)24-16(19)20)12-22-17(21)23(18)11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H2,21,22)
InChIKeyGUKGHAAIWCEIQL-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.33
Rot. Bonds5

About 1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine

1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine (PubChem CID 113248396) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine
PubChem CID113248396
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2ccccc2OC(F)F)CN=C(N)N1Cc1ccccc1
InChIInChI=1S/C18H19F2N3O/c1-18(14-9-5-6-10-15(14)24-16(19)20)12-22-17(21)23(18)11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H2,21,22)
InChIKeyGUKGHAAIWCEIQL-UHFFFAOYSA-N
XLogP3.33
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine 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

8-(3-Propylphenyl)-8-(4-(trifluoromethoxy)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
CID 11683112
8-(3-Methoxyphenyl)-8-phenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
CID 11493476
(4S)-1-benzyl-4-[(4-methoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride
CID 127039488
2-Amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(3-fluorophenyl)-3-methylimidazole-4-thione
CID 153339162
1-(2-Methoxybenzyl)-2-methyl-4-benzyl-2-imidazoline
CID 15480884
1-(2-Methoxybenzyl)-2-methyl-4-phenyl-2-imidazoline
CID 21266855
N-(1,4-diazaspiro[5.5]undec-4-en-5-yl)-N-(2-methoxybenzyl)amine
CID 46389040
N-[(2-methoxyphenyl)methyl]-7,11-diazaspiro[5.6]dodec-11-en-12-amine
CID 50848451
1-ethyl-3-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine
CID 95932873
8-(3-prop-2-enylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 11618508
(4S)-4'-amino-6-fluoro-1'-[(1S)-1-phenylethyl]spiro[2,3-dihydrochromene-4,5'-imidazole]-2'-one
CID 12889303
2-Amino-5-cyclohexyl-3-[[2-(difluoromethoxy)phenyl]methyl]-5-phenylimidazol-4-one
CID 16050934

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine (CID 113248396) is 1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine is CC1(c2ccccc2OC(F)F)CN=C(N)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine?
The InChIKey is GUKGHAAIWCEIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c1-18(14-9-5-6-10-15(14)24-16(19)20)12-22-17(21)23(18)11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H2,21,22).
What are the key properties of 1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine?
1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine has a molecular weight of 331.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 113248396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).