(4R)-2-amino-4-[(4-methylphenyl)methyl]-4-phenyl-1H-imidazol-5-one

C17H17N3O — CID 95655656

IUPAC(4R)-2-amino-4-[(4-methylphenyl)methyl]-4-phenyl-1H-imidazol-5-one
SMILESCc1ccc(C[C@]2(c3ccccc3)N=C(N)NC2=O)cc1
InChIInChI=1S/C17H17N3O/c1-12-7-9-13(10-8-12)11-17(14-5-3-2-4-6-14)15(21)19-16(18)20-17/h2-10H,11H2,1H3,(H3,18,19,20,21)/t17-/m1/s1
InChIKeyKKLMHXIIEVQBGL-QGZVFWFLSA-N
MW279.34 g/mol
LogP1.88
Rot. Bonds3

About (4R)-2-amino-4-[(4-methylphenyl)methyl]-4-phenyl-1H-imidazol-5-one

(4R)-2-amino-4-[(4-methylphenyl)methyl]-4-phenyl-1H-imidazol-5-one (PubChem CID 95655656) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (4R)-2-amino-4-[(4-methylphenyl)methyl]-4-phenyl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4R)-2-amino-4-[(4-methylphenyl)methyl]-4-phenyl-1H-imidazol-5-one
PubChem CID95655656
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(4R)-2-amino-4-[(4-methylphenyl)methyl]-4-phenyl-1H-imidazol-5-one
SMILESCc1ccc(C[C@]2(c3ccccc3)N=C(N)NC2=O)cc1
InChIInChI=1S/C17H17N3O/c1-12-7-9-13(10-8-12)11-17(14-5-3-2-4-6-14)15(21)19-16(18)20-17/h2-10H,11H2,1H3,(H3,18,19,20,21)/t17-/m1/s1
InChIKeyKKLMHXIIEVQBGL-QGZVFWFLSA-N
XLogP1.88
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-amino-4-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-1H-imidazol-5-one
CID 95655295
(4R)-2-amino-4-benzyl-4-(4-bromophenyl)-1H-imidazol-5-one
CID 95655142
4-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-one
CID 71698156
(4S)-2-amino-4-(4-methylphenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
CID 95655308
2-amino-4-benzyl-4-(3-nitrophenyl)-1H-imidazol-5-one
CID 75358707
(4S)-2-amino-4-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)-1H-imidazol-5-one
CID 95654799
2-amino-4-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-1H-imidazol-5-one
CID 75358920
2-amino-4,4-dibenzyl-1H-imidazol-5-one
CID 82988396
(4S)-2-amino-4-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
CID 95655809
(5S)-5-benzyl-3-[(4-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7240287
4-[(3-chlorophenyl)methyl]-2,4-diphenyl-1H-imidazol-5-one
CID 71698058
2-amino-4-methyl-4-(2-methylphenyl)-1H-imidazol-5-one
CID 82997474

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-[(4-methylphenyl)methyl]-4-phenyl-1H-imidazol-5-one?
The IUPAC name of (4R)-2-amino-4-[(4-methylphenyl)methyl]-4-phenyl-1H-imidazol-5-one (CID 95655656) is (4R)-2-amino-4-[(4-methylphenyl)methyl]-4-phenyl-1H-imidazol-5-one.
What is the SMILES notation for (4R)-2-amino-4-[(4-methylphenyl)methyl]-4-phenyl-1H-imidazol-5-one?
The canonical SMILES for (4R)-2-amino-4-[(4-methylphenyl)methyl]-4-phenyl-1H-imidazol-5-one is Cc1ccc(C[C@]2(c3ccccc3)N=C(N)NC2=O)cc1.
What is the InChIKey of (4R)-2-amino-4-[(4-methylphenyl)methyl]-4-phenyl-1H-imidazol-5-one?
The InChIKey is KKLMHXIIEVQBGL-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-7-9-13(10-8-12)11-17(14-5-3-2-4-6-14)15(21)19-16(18)20-17/h2-10H,11H2,1H3,(H3,18,19,20,21)/t17-/m1/s1.
What are the key properties of (4R)-2-amino-4-[(4-methylphenyl)methyl]-4-phenyl-1H-imidazol-5-one?
(4R)-2-amino-4-[(4-methylphenyl)methyl]-4-phenyl-1H-imidazol-5-one has a molecular weight of 279.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-[(4-methylphenyl)methyl]-4-phenyl-1H-imidazol-5-one is sourced from PubChem (CID 95655656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).