2-amino-5-cyclopropyl-3-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-[3-(3-methylphenyl)phenyl]imidazol-4-one

C25H31N3O2 — CID 89015355

IUPAC2-amino-5-cyclopropyl-3-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-[3-(3-methylphenyl)phenyl]imidazol-4-one
SMILESCc1cccc(-c2cccc(C3(C4CC4)N=C(N)N([C@H](CO)CC(C)C)C3=O)c2)c1
InChIInChI=1S/C25H31N3O2/c1-16(2)12-22(15-29)28-23(30)25(20-10-11-20,27-24(28)26)21-9-5-8-19(14-21)18-7-4-6-17(3)13-18/h4-9,13-14,16,20,22,29H,10-12,15H2,1-3H3,(H2,26,27)/t22-,25?/m0/s1
InChIKeySEYFRPYGICCEBR-XADRRFQNSA-N
MW405.54 g/mol
LogP3.83
Rot. Bonds7

About 2-amino-5-cyclopropyl-3-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-[3-(3-methylphenyl)phenyl]imidazol-4-one

2-amino-5-cyclopropyl-3-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-[3-(3-methylphenyl)phenyl]imidazol-4-one (PubChem CID 89015355) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 2-amino-5-cyclopropyl-3-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-[3-(3-methylphenyl)phenyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-cyclopropyl-3-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-[3-(3-methylphenyl)phenyl]imidazol-4-one
PubChem CID89015355
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name2-amino-5-cyclopropyl-3-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-[3-(3-methylphenyl)phenyl]imidazol-4-one
SMILESCc1cccc(-c2cccc(C3(C4CC4)N=C(N)N([C@H](CO)CC(C)C)C3=O)c2)c1
InChIInChI=1S/C25H31N3O2/c1-16(2)12-22(15-29)28-23(30)25(20-10-11-20,27-24(28)26)21-9-5-8-19(14-21)18-7-4-6-17(3)13-18/h4-9,13-14,16,20,22,29H,10-12,15H2,1-3H3,(H2,26,27)/t22-,25?/m0/s1
InChIKeySEYFRPYGICCEBR-XADRRFQNSA-N
XLogP3.83
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyclopropyl-3-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-[3-(3-methylphenyl)phenyl]imidazol-4-one?
The IUPAC name of 2-amino-5-cyclopropyl-3-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-[3-(3-methylphenyl)phenyl]imidazol-4-one (CID 89015355) is 2-amino-5-cyclopropyl-3-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-[3-(3-methylphenyl)phenyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-cyclopropyl-3-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-[3-(3-methylphenyl)phenyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-cyclopropyl-3-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-[3-(3-methylphenyl)phenyl]imidazol-4-one is Cc1cccc(-c2cccc(C3(C4CC4)N=C(N)N([C@H](CO)CC(C)C)C3=O)c2)c1.
What is the InChIKey of 2-amino-5-cyclopropyl-3-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-[3-(3-methylphenyl)phenyl]imidazol-4-one?
The InChIKey is SEYFRPYGICCEBR-XADRRFQNSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-16(2)12-22(15-29)28-23(30)25(20-10-11-20,27-24(28)26)21-9-5-8-19(14-21)18-7-4-6-17(3)13-18/h4-9,13-14,16,20,22,29H,10-12,15H2,1-3H3,(H2,26,27)/t22-,25?/m0/s1.
What are the key properties of 2-amino-5-cyclopropyl-3-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-[3-(3-methylphenyl)phenyl]imidazol-4-one?
2-amino-5-cyclopropyl-3-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-[3-(3-methylphenyl)phenyl]imidazol-4-one has a molecular weight of 405.54 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyclopropyl-3-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-[3-(3-methylphenyl)phenyl]imidazol-4-one is sourced from PubChem (CID 89015355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).