(4R)-4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one

C18H23N3O2 — CID 31045164

IUPAC(4R)-4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCCOc1ccc(-c2cnc([C@@H]3CC(=O)N(C(C)C)C3)[nH]2)cc1
InChIInChI=1S/C18H23N3O2/c1-4-23-15-7-5-13(6-8-15)16-10-19-18(20-16)14-9-17(22)21(11-14)12(2)3/h5-8,10,12,14H,4,9,11H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyUTYLXKFIKWLNGB-CQSZACIVSA-N
MW313.40 g/mol
LogP3.20
Rot. Bonds5

About (4R)-4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one

(4R)-4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 31045164) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (4R)-4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID31045164
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(4R)-4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCCOc1ccc(-c2cnc([C@@H]3CC(=O)N(C(C)C)C3)[nH]2)cc1
InChIInChI=1S/C18H23N3O2/c1-4-23-15-7-5-13(6-8-15)16-10-19-18(20-16)14-9-17(22)21(11-14)12(2)3/h5-8,10,12,14H,4,9,11H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyUTYLXKFIKWLNGB-CQSZACIVSA-N
XLogP3.20
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
CID 31073934
4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 45204048
(4R)-1-propan-2-yl-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one
CID 31125812
1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 45242567
(4S)-4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
CID 31043406
5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole
CID 43650691
4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
CID 45218761
1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 43651379
(3R)-N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1092696
5-(4-ethoxyphenyl)-2-methyl-1H-imidazole
CID 116883826
4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 45216091
5-(4-ethoxyphenyl)-1H-imidazol-2-amine
CID 12733698

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one (CID 31045164) is (4R)-4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one is CCOc1ccc(-c2cnc([C@@H]3CC(=O)N(C(C)C)C3)[nH]2)cc1.
What is the InChIKey of (4R)-4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is UTYLXKFIKWLNGB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-23-15-7-5-13(6-8-15)16-10-19-18(20-16)14-9-17(22)21(11-14)12(2)3/h5-8,10,12,14H,4,9,11H2,1-3H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (4R)-4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one?
(4R)-4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 313.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 31045164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).