1-[(3-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C17H20N4O3 — CID 138506317

IUPAC1-[(3-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CC(=O)N(Cc2cccc(O)c2)C1
InChIInChI=1S/C17H20N4O3/c22-15-3-1-2-12(6-15)9-21-10-13(7-16(21)23)17(24)19-5-4-14-8-18-11-20-14/h1-3,6,8,11,13,22H,4-5,7,9-10H2,(H,18,20)(H,19,24)
InChIKeyRMLHLPUHORDRIT-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.82
Rot. Bonds6

About 1-[(3-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-[(3-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 138506317) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[(3-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID138506317
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-[(3-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CC(=O)N(Cc2cccc(O)c2)C1
InChIInChI=1S/C17H20N4O3/c22-15-3-1-2-12(6-15)9-21-10-13(7-16(21)23)17(24)19-5-4-14-8-18-11-20-14/h1-3,6,8,11,13,22H,4-5,7,9-10H2,(H,18,20)(H,19,24)
InChIKeyRMLHLPUHORDRIT-UHFFFAOYSA-N
XLogP0.82
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[(3-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 138506317) is 1-[(3-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(3-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(3-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCc1cnc[nH]1)C1CC(=O)N(Cc2cccc(O)c2)C1.
What is the InChIKey of 1-[(3-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RMLHLPUHORDRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-15-3-1-2-12(6-15)9-21-10-13(7-16(21)23)17(24)19-5-4-14-8-18-11-20-14/h1-3,6,8,11,13,22H,4-5,7,9-10H2,(H,18,20)(H,19,24).
What are the key properties of 1-[(3-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-[(3-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 138506317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).