(4R)-1-ethyl-4-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]pyrrolidin-2-one

C21H23N5O — CID 95120380

IUPAC(4R)-1-ethyl-4-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]pyrrolidin-2-one
SMILESCCc1nccc(-c2c(-c3ccccc3)ncn2[C@@H]2CC(=O)N(CC)C2)n1
InChIInChI=1S/C21H23N5O/c1-3-18-22-11-10-17(24-18)21-20(15-8-6-5-7-9-15)23-14-26(21)16-12-19(27)25(4-2)13-16/h5-11,14,16H,3-4,12-13H2,1-2H3/t16-/m1/s1
InChIKeyJLNPKTVVRFXXOI-MRXNPFEDSA-N
MW361.45 g/mol
LogP3.36
Rot. Bonds5

About (4R)-1-ethyl-4-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]pyrrolidin-2-one

(4R)-1-ethyl-4-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]pyrrolidin-2-one (PubChem CID 95120380) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (4R)-1-ethyl-4-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-ethyl-4-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]pyrrolidin-2-one
PubChem CID95120380
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(4R)-1-ethyl-4-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]pyrrolidin-2-one
SMILESCCc1nccc(-c2c(-c3ccccc3)ncn2[C@@H]2CC(=O)N(CC)C2)n1
InChIInChI=1S/C21H23N5O/c1-3-18-22-11-10-17(24-18)21-20(15-8-6-5-7-9-15)23-14-26(21)16-12-19(27)25(4-2)13-16/h5-11,14,16H,3-4,12-13H2,1-2H3/t16-/m1/s1
InChIKeyJLNPKTVVRFXXOI-MRXNPFEDSA-N
XLogP3.36
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 16113377
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Frequently Asked Questions

What is the IUPAC name of (4R)-1-ethyl-4-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-ethyl-4-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]pyrrolidin-2-one (CID 95120380) is (4R)-1-ethyl-4-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-ethyl-4-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-ethyl-4-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]pyrrolidin-2-one is CCc1nccc(-c2c(-c3ccccc3)ncn2[C@@H]2CC(=O)N(CC)C2)n1.
What is the InChIKey of (4R)-1-ethyl-4-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]pyrrolidin-2-one?
The InChIKey is JLNPKTVVRFXXOI-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N5O/c1-3-18-22-11-10-17(24-18)21-20(15-8-6-5-7-9-15)23-14-26(21)16-12-19(27)25(4-2)13-16/h5-11,14,16H,3-4,12-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (4R)-1-ethyl-4-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]pyrrolidin-2-one?
(4R)-1-ethyl-4-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]pyrrolidin-2-one has a molecular weight of 361.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-ethyl-4-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 95120380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).