1-[3-[2-(3-hydroxyphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one

C16H19N3O2 — CID 67608745

IUPAC1-[3-[2-(3-hydroxyphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCn1ccnc1-c1cccc(O)c1
InChIInChI=1S/C16H19N3O2/c20-14-5-1-4-13(12-14)16-17-7-11-19(16)10-3-9-18-8-2-6-15(18)21/h1,4-5,7,11-12,20H,2-3,6,8-10H2
InChIKeyBBTGXKJUFGLKEJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.27
Rot. Bonds5

About 1-[3-[2-(3-hydroxyphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one

1-[3-[2-(3-hydroxyphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one (PubChem CID 67608745) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[3-[2-(3-hydroxyphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-(3-hydroxyphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one
PubChem CID67608745
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[3-[2-(3-hydroxyphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCn1ccnc1-c1cccc(O)c1
InChIInChI=1S/C16H19N3O2/c20-14-5-1-4-13(12-14)16-17-7-11-19(16)10-3-9-18-8-2-6-15(18)21/h1,4-5,7,11-12,20H,2-3,6,8-10H2
InChIKeyBBTGXKJUFGLKEJ-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-2-yl]phenyl]acetamide
CID 56867925
1-[3-(7-amino-1-hydroxyisoindol-2-yl)propyl]pyrrolidin-2-one
CID 90780199
1-[3-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propyl]pyrrolidin-2-one
CID 18524175
1-[2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyrrolidin-2-one
CID 78883261
3-(1-phenylimidazol-2-yl)phenol
CID 70654534
3-[2-(3-nitrophenyl)imidazol-1-yl]propan-1-amine
CID 82559262
1-[3-(3-aminopyrazol-1-yl)propyl]pyrrolidin-2-one
CID 63310672
1-[3-(3-aminophenoxy)propyl]pyrrolidin-2-one
CID 43365688
3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride
CID 119896331
1-[3-(2-fluoro-3,5-dimethyl-4-phenylphenoxy)propyl]pyrrolidin-2-one
CID 141398677
1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one
CID 59174585
N-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 28789155

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-hydroxyphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[2-(3-hydroxyphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one (CID 67608745) is 1-[3-[2-(3-hydroxyphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[2-(3-hydroxyphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[2-(3-hydroxyphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one is O=C1CCCN1CCCn1ccnc1-c1cccc(O)c1.
What is the InChIKey of 1-[3-[2-(3-hydroxyphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is BBTGXKJUFGLKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-14-5-1-4-13(12-14)16-17-7-11-19(16)10-3-9-18-8-2-6-15(18)21/h1,4-5,7,11-12,20H,2-3,6,8-10H2.
What are the key properties of 1-[3-[2-(3-hydroxyphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one?
1-[3-[2-(3-hydroxyphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 285.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-hydroxyphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 67608745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).