(5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

C22H21N5O2 — CID 11682506

IUPAC(5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCOc1ccc([C@@]2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc1C
InChIInChI=1S/C22H21N5O2/c1-14-9-18(7-8-19(14)29-3)22(20(28)27(2)21(23)26-22)17-6-4-5-15(10-17)16-11-24-13-25-12-16/h4-13H,1-3H3,(H2,23,26)/t22-/m1/s1
InChIKeyNJDRPIPNXBADEH-JOCHJYFZSA-N
MW387.44 g/mol
LogP2.49
Rot. Bonds4

About (5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

(5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 11682506) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is (5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
PubChem CID11682506
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name(5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCOc1ccc([C@@]2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc1C
InChIInChI=1S/C22H21N5O2/c1-14-9-18(7-8-19(14)29-3)22(20(28)27(2)21(23)26-22)17-6-4-5-15(10-17)16-11-24-13-25-12-16/h4-13H,1-3H3,(H2,23,26)/t22-/m1/s1
InChIKeyNJDRPIPNXBADEH-JOCHJYFZSA-N
XLogP2.49
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The IUPAC name of (5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (CID 11682506) is (5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is COc1ccc([C@@]2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc1C.
What is the InChIKey of (5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The InChIKey is NJDRPIPNXBADEH-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14-9-18(7-8-19(14)29-3)22(20(28)27(2)21(23)26-22)17-6-4-5-15(10-17)16-11-24-13-25-12-16/h4-13H,1-3H3,(H2,23,26)/t22-/m1/s1.
What are the key properties of (5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
(5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one has a molecular weight of 387.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 11682506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).