(5R)-2-amino-5-[(4-hydroxyphenyl)methyl]-5-[(S)-methoxy-(4-methoxyphenyl)methyl]-3-methylimidazol-4-one

C20H23N3O4 — CID 25138424

IUPAC(5R)-2-amino-5-[(4-hydroxyphenyl)methyl]-5-[(S)-methoxy-(4-methoxyphenyl)methyl]-3-methylimidazol-4-one
SMILESCOc1ccc([C@H](OC)[C@@]2(Cc3ccc(O)cc3)N=C(N)N(C)C2=O)cc1
InChIInChI=1S/C20H23N3O4/c1-23-18(25)20(22-19(23)21,12-13-4-8-15(24)9-5-13)17(27-3)14-6-10-16(26-2)11-7-14/h4-11,17,24H,12H2,1-3H3,(H2,21,22)/t17-,20+/m0/s1
InChIKeyFAYFCBWGLAQMRS-FXAWDEMLSA-N
MW369.42 g/mol
LogP1.86
Rot. Bonds6

About (5R)-2-amino-5-[(4-hydroxyphenyl)methyl]-5-[(S)-methoxy-(4-methoxyphenyl)methyl]-3-methylimidazol-4-one

(5R)-2-amino-5-[(4-hydroxyphenyl)methyl]-5-[(S)-methoxy-(4-methoxyphenyl)methyl]-3-methylimidazol-4-one (PubChem CID 25138424) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (5R)-2-amino-5-[(4-hydroxyphenyl)methyl]-5-[(S)-methoxy-(4-methoxyphenyl)methyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-[(4-hydroxyphenyl)methyl]-5-[(S)-methoxy-(4-methoxyphenyl)methyl]-3-methylimidazol-4-one
PubChem CID25138424
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(5R)-2-amino-5-[(4-hydroxyphenyl)methyl]-5-[(S)-methoxy-(4-methoxyphenyl)methyl]-3-methylimidazol-4-one
SMILESCOc1ccc([C@H](OC)[C@@]2(Cc3ccc(O)cc3)N=C(N)N(C)C2=O)cc1
InChIInChI=1S/C20H23N3O4/c1-23-18(25)20(22-19(23)21,12-13-4-8-15(24)9-5-13)17(27-3)14-6-10-16(26-2)11-7-14/h4-11,17,24H,12H2,1-3H3,(H2,21,22)/t17-,20+/m0/s1
InChIKeyFAYFCBWGLAQMRS-FXAWDEMLSA-N
XLogP1.86
TPSA97.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-[(4-hydroxyphenyl)methyl]-5-[(S)-methoxy-(4-methoxyphenyl)methyl]-3-methylimidazol-4-one?
The IUPAC name of (5R)-2-amino-5-[(4-hydroxyphenyl)methyl]-5-[(S)-methoxy-(4-methoxyphenyl)methyl]-3-methylimidazol-4-one (CID 25138424) is (5R)-2-amino-5-[(4-hydroxyphenyl)methyl]-5-[(S)-methoxy-(4-methoxyphenyl)methyl]-3-methylimidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-[(4-hydroxyphenyl)methyl]-5-[(S)-methoxy-(4-methoxyphenyl)methyl]-3-methylimidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-[(4-hydroxyphenyl)methyl]-5-[(S)-methoxy-(4-methoxyphenyl)methyl]-3-methylimidazol-4-one is COc1ccc([C@H](OC)[C@@]2(Cc3ccc(O)cc3)N=C(N)N(C)C2=O)cc1.
What is the InChIKey of (5R)-2-amino-5-[(4-hydroxyphenyl)methyl]-5-[(S)-methoxy-(4-methoxyphenyl)methyl]-3-methylimidazol-4-one?
The InChIKey is FAYFCBWGLAQMRS-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-23-18(25)20(22-19(23)21,12-13-4-8-15(24)9-5-13)17(27-3)14-6-10-16(26-2)11-7-14/h4-11,17,24H,12H2,1-3H3,(H2,21,22)/t17-,20+/m0/s1.
What are the key properties of (5R)-2-amino-5-[(4-hydroxyphenyl)methyl]-5-[(S)-methoxy-(4-methoxyphenyl)methyl]-3-methylimidazol-4-one?
(5R)-2-amino-5-[(4-hydroxyphenyl)methyl]-5-[(S)-methoxy-(4-methoxyphenyl)methyl]-3-methylimidazol-4-one has a molecular weight of 369.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-[(4-hydroxyphenyl)methyl]-5-[(S)-methoxy-(4-methoxyphenyl)methyl]-3-methylimidazol-4-one is sourced from PubChem (CID 25138424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).