(5R)-2-amino-5-cyclopropyl-5-[3-[3-(hydroxymethyl)phenyl]phenyl]-3-methylimidazol-4-one

C20H21N3O2 — CID 59387276

IUPAC(5R)-2-amino-5-cyclopropyl-5-[3-[3-(hydroxymethyl)phenyl]phenyl]-3-methylimidazol-4-one
SMILESCN1C(=O)[C@](c2cccc(-c3cccc(CO)c3)c2)(C2CC2)N=C1N
InChIInChI=1S/C20H21N3O2/c1-23-18(25)20(16-8-9-16,22-19(23)21)17-7-3-6-15(11-17)14-5-2-4-13(10-14)12-24/h2-7,10-11,16,24H,8-9,12H2,1H3,(H2,21,22)/t20-/m1/s1
InChIKeyRYQHEJIGFXMELR-HXUWFJFHSA-N
MW335.41 g/mol
LogP2.24
Rot. Bonds4

About (5R)-2-amino-5-cyclopropyl-5-[3-[3-(hydroxymethyl)phenyl]phenyl]-3-methylimidazol-4-one

(5R)-2-amino-5-cyclopropyl-5-[3-[3-(hydroxymethyl)phenyl]phenyl]-3-methylimidazol-4-one (PubChem CID 59387276) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (5R)-2-amino-5-cyclopropyl-5-[3-[3-(hydroxymethyl)phenyl]phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-cyclopropyl-5-[3-[3-(hydroxymethyl)phenyl]phenyl]-3-methylimidazol-4-one
PubChem CID59387276
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(5R)-2-amino-5-cyclopropyl-5-[3-[3-(hydroxymethyl)phenyl]phenyl]-3-methylimidazol-4-one
SMILESCN1C(=O)[C@](c2cccc(-c3cccc(CO)c3)c2)(C2CC2)N=C1N
InChIInChI=1S/C20H21N3O2/c1-23-18(25)20(16-8-9-16,22-19(23)21)17-7-3-6-15(11-17)14-5-2-4-13(10-14)12-24/h2-7,10-11,16,24H,8-9,12H2,1H3,(H2,21,22)/t20-/m1/s1
InChIKeyRYQHEJIGFXMELR-HXUWFJFHSA-N
XLogP2.24
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-cyclopropyl-5-[3-[3-(hydroxymethyl)phenyl]phenyl]-3-methylimidazol-4-one?
The IUPAC name of (5R)-2-amino-5-cyclopropyl-5-[3-[3-(hydroxymethyl)phenyl]phenyl]-3-methylimidazol-4-one (CID 59387276) is (5R)-2-amino-5-cyclopropyl-5-[3-[3-(hydroxymethyl)phenyl]phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-cyclopropyl-5-[3-[3-(hydroxymethyl)phenyl]phenyl]-3-methylimidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-cyclopropyl-5-[3-[3-(hydroxymethyl)phenyl]phenyl]-3-methylimidazol-4-one is CN1C(=O)[C@](c2cccc(-c3cccc(CO)c3)c2)(C2CC2)N=C1N.
What is the InChIKey of (5R)-2-amino-5-cyclopropyl-5-[3-[3-(hydroxymethyl)phenyl]phenyl]-3-methylimidazol-4-one?
The InChIKey is RYQHEJIGFXMELR-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-23-18(25)20(16-8-9-16,22-19(23)21)17-7-3-6-15(11-17)14-5-2-4-13(10-14)12-24/h2-7,10-11,16,24H,8-9,12H2,1H3,(H2,21,22)/t20-/m1/s1.
What are the key properties of (5R)-2-amino-5-cyclopropyl-5-[3-[3-(hydroxymethyl)phenyl]phenyl]-3-methylimidazol-4-one?
(5R)-2-amino-5-cyclopropyl-5-[3-[3-(hydroxymethyl)phenyl]phenyl]-3-methylimidazol-4-one has a molecular weight of 335.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-cyclopropyl-5-[3-[3-(hydroxymethyl)phenyl]phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 59387276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).