(5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazol-4-one

C21H27N3O2 — CID 45488099

IUPAC(5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazol-4-one
SMILESCOc1ccc([C@@]2(C34CC5CC(CC(C5)C3)C4)N=C(N)N(C)C2=O)cc1
InChIInChI=1S/C21H27N3O2/c1-24-18(25)21(23-19(24)22,16-3-5-17(26-2)6-4-16)20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,7-12H2,1-2H3,(H2,22,23)/t13?,14?,15?,20?,21-/m1/s1
InChIKeyBGCGXOOJJMGOQV-GEYGSZSDSA-N
MW353.47 g/mol
LogP2.89
Rot. Bonds3

About (5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazol-4-one

(5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazol-4-one (PubChem CID 45488099) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name(5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazol-4-one
PubChem CID45488099
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazol-4-one
SMILESCOc1ccc([C@@]2(C34CC5CC(CC(C5)C3)C4)N=C(N)N(C)C2=O)cc1
InChIInChI=1S/C21H27N3O2/c1-24-18(25)21(23-19(24)22,16-3-5-17(26-2)6-4-16)20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,7-12H2,1-2H3,(H2,22,23)/t13?,14?,15?,20?,21-/m1/s1
InChIKeyBGCGXOOJJMGOQV-GEYGSZSDSA-N
XLogP2.89
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazol-4-one?
The IUPAC name of (5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazol-4-one (CID 45488099) is (5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazol-4-one.
What is the SMILES notation for (5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazol-4-one?
The canonical SMILES for (5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazol-4-one is COc1ccc([C@@]2(C34CC5CC(CC(C5)C3)C4)N=C(N)N(C)C2=O)cc1.
What is the InChIKey of (5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazol-4-one?
The InChIKey is BGCGXOOJJMGOQV-GEYGSZSDSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-24-18(25)21(23-19(24)22,16-3-5-17(26-2)6-4-16)20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,7-12H2,1-2H3,(H2,22,23)/t13?,14?,15?,20?,21-/m1/s1.
What are the key properties of (5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazol-4-one?
(5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazol-4-one has a molecular weight of 353.47 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 45488099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).