4-(1H-imidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

C17H22N4O2 — CID 45230028

IUPAC4-(1H-imidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(CCN2CC(NCc3ncc[nH]3)CC2=O)cc1
InChIInChI=1S/C17H22N4O2/c1-23-15-4-2-13(3-5-15)6-9-21-12-14(10-17(21)22)20-11-16-18-7-8-19-16/h2-5,7-8,14,20H,6,9-12H2,1H3,(H,18,19)
InChIKeyWOVHFGIZKMRIQY-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.35
Rot. Bonds7

About 4-(1H-imidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

4-(1H-imidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 45230028) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID45230028
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-(1H-imidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(CCN2CC(NCc3ncc[nH]3)CC2=O)cc1
InChIInChI=1S/C17H22N4O2/c1-23-15-4-2-13(3-5-15)6-9-21-12-14(10-17(21)22)20-11-16-18-7-8-19-16/h2-5,7-8,14,20H,6,9-12H2,1H3,(H,18,19)
InChIKeyWOVHFGIZKMRIQY-UHFFFAOYSA-N
XLogP1.35
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(1H-imidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (CID 45230028) is 4-(1H-imidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(1H-imidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(1H-imidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is COc1ccc(CCN2CC(NCc3ncc[nH]3)CC2=O)cc1.
What is the InChIKey of 4-(1H-imidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is WOVHFGIZKMRIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-23-15-4-2-13(3-5-15)6-9-21-12-14(10-17(21)22)20-11-16-18-7-8-19-16/h2-5,7-8,14,20H,6,9-12H2,1H3,(H,18,19).
What are the key properties of 4-(1H-imidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
4-(1H-imidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 314.39 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 45230028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).