(5S)-3-benzyl-2-[6-[(4R)-1-benzyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl]-2-pyridinyl]-5-methyl-5-propan-2-ylimidazol-4-one

C33H37N5O2 — CID 101349970

IUPAC(5S)-3-benzyl-2-[6-[(4R)-1-benzyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl]-2-pyridinyl]-5-methyl-5-propan-2-ylimidazol-4-one
SMILESCC(C)[C@@]1(C)N=C(c2cccc(C3=N[C@@](C)(C(C)C)C(=O)N3Cc3ccccc3)n2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C33H37N5O2/c1-22(2)32(5)30(39)37(20-24-14-9-7-10-15-24)28(35-32)26-18-13-19-27(34-26)29-36-33(6,23(3)4)31(40)38(29)21-25-16-11-8-12-17-25/h7-19,22-23H,20-21H2,1-6H3/t32-,33+
InChIKeyFJCOSSOLJWOOQX-CZFRINIUSA-N
MW535.69 g/mol
LogP5.49
Rot. Bonds8

About (5S)-3-benzyl-2-[6-[(4R)-1-benzyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl]-2-pyridinyl]-5-methyl-5-propan-2-ylimidazol-4-one

(5S)-3-benzyl-2-[6-[(4R)-1-benzyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl]-2-pyridinyl]-5-methyl-5-propan-2-ylimidazol-4-one (PubChem CID 101349970) has the molecular formula C33H37N5O2 and a molecular weight of 535.69 g/mol. Its IUPAC name is (5S)-3-benzyl-2-[6-[(4R)-1-benzyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl]-2-pyridinyl]-5-methyl-5-propan-2-ylimidazol-4-one.

Molecular Properties

Compound Name(5S)-3-benzyl-2-[6-[(4R)-1-benzyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl]-2-pyridinyl]-5-methyl-5-propan-2-ylimidazol-4-one
PubChem CID101349970
Molecular FormulaC33H37N5O2
Molecular Weight535.69 g/mol
Exact Mass535.29
IUPAC Name(5S)-3-benzyl-2-[6-[(4R)-1-benzyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl]-2-pyridinyl]-5-methyl-5-propan-2-ylimidazol-4-one
SMILESCC(C)[C@@]1(C)N=C(c2cccc(C3=N[C@@](C)(C(C)C)C(=O)N3Cc3ccccc3)n2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C33H37N5O2/c1-22(2)32(5)30(39)37(20-24-14-9-7-10-15-24)28(35-32)26-18-13-19-27(34-26)29-36-33(6,23(3)4)31(40)38(29)21-25-16-11-8-12-17-25/h7-19,22-23H,20-21H2,1-6H3/t32-,33+
InChIKeyFJCOSSOLJWOOQX-CZFRINIUSA-N
XLogP5.49
TPSA78.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.69
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S)-3-benzyl-2-[6-[(4R)-1-benzyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl]-2-pyridinyl]-5-methyl-5-propan-2-ylimidazol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-benzyl-2-[6-[(4R)-1-benzyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl]-2-pyridinyl]-5-methyl-5-propan-2-ylimidazol-4-one?
The IUPAC name of (5S)-3-benzyl-2-[6-[(4R)-1-benzyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl]-2-pyridinyl]-5-methyl-5-propan-2-ylimidazol-4-one (CID 101349970) is (5S)-3-benzyl-2-[6-[(4R)-1-benzyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl]-2-pyridinyl]-5-methyl-5-propan-2-ylimidazol-4-one.
What is the SMILES notation for (5S)-3-benzyl-2-[6-[(4R)-1-benzyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl]-2-pyridinyl]-5-methyl-5-propan-2-ylimidazol-4-one?
The canonical SMILES for (5S)-3-benzyl-2-[6-[(4R)-1-benzyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl]-2-pyridinyl]-5-methyl-5-propan-2-ylimidazol-4-one is CC(C)[C@@]1(C)N=C(c2cccc(C3=N[C@@](C)(C(C)C)C(=O)N3Cc3ccccc3)n2)N(Cc2ccccc2)C1=O.
What is the InChIKey of (5S)-3-benzyl-2-[6-[(4R)-1-benzyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl]-2-pyridinyl]-5-methyl-5-propan-2-ylimidazol-4-one?
The InChIKey is FJCOSSOLJWOOQX-CZFRINIUSA-N. The full InChI is InChI=1S/C33H37N5O2/c1-22(2)32(5)30(39)37(20-24-14-9-7-10-15-24)28(35-32)26-18-13-19-27(34-26)29-36-33(6,23(3)4)31(40)38(29)21-25-16-11-8-12-17-25/h7-19,22-23H,20-21H2,1-6H3/t32-,33+.
What are the key properties of (5S)-3-benzyl-2-[6-[(4R)-1-benzyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl]-2-pyridinyl]-5-methyl-5-propan-2-ylimidazol-4-one?
(5S)-3-benzyl-2-[6-[(4R)-1-benzyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl]-2-pyridinyl]-5-methyl-5-propan-2-ylimidazol-4-one has a molecular weight of 535.69 g/mol, XLogP of 5.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-benzyl-2-[6-[(4R)-1-benzyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl]-2-pyridinyl]-5-methyl-5-propan-2-ylimidazol-4-one is sourced from PubChem (CID 101349970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).