1,2,2-trimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C14H22N4O2 — CID 91843751

IUPAC1,2,2-trimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN1C(=O)CC(C(=O)NCCc2nccn2C)C1(C)C
InChIInChI=1S/C14H22N4O2/c1-14(2)10(9-12(19)18(14)4)13(20)16-6-5-11-15-7-8-17(11)3/h7-8,10H,5-6,9H2,1-4H3,(H,16,20)
InChIKeyLUQVNGHMMYSDNM-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.34
Rot. Bonds4

About 1,2,2-trimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

1,2,2-trimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 91843751) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1,2,2-trimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1,2,2-trimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID91843751
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1,2,2-trimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN1C(=O)CC(C(=O)NCCc2nccn2C)C1(C)C
InChIInChI=1S/C14H22N4O2/c1-14(2)10(9-12(19)18(14)4)13(20)16-6-5-11-15-7-8-17(11)3/h7-8,10H,5-6,9H2,1-4H3,(H,16,20)
InChIKeyLUQVNGHMMYSDNM-UHFFFAOYSA-N
XLogP0.34
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361563
(S)-3-(3-(1H-imidazol-1-yl)propyl)-5-isobutylimidazolidine-2,4-dione
CID 7068386
N-({(2S,4S)-4-fluoro-1-[4-(2-methyl-1H-imidazol-1-yl)butanoyl]pyrrolidin-2-yl}methyl)-3-methylbutanamide
CID 70755207
1-[2-(dimethylamino)ethyl]-4-{[4-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-2-pyrrolidinone
CID 70777043
N-[rel-(3R,4S)-1-cyclopentyl-4-cyclopropyl-3-pyrrolidinyl]-4-(1H-imidazol-1-yl)butanamide dihydrochloride
CID 72852975
4-(1H-imidazol-1-yl)-N-[rel-(3R,4S)-1-(methylsulfonyl)-4-propyl-3-pyrrolidinyl]butanamide hydrochloride
CID 72890648
N-hydroxy-N'-(3-imidazol-1-ylpropyl)-2-(2-methylpropyl)propanediamide
CID 178311211
N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361559
4-{[4-(1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-1-methyl-2-imidazolidinone
CID 70773690
rac-(4R,5S)-4-(aminomethyl)-1-methyl-5-(1-methyl-1H-imidazol-2-yl)pyrrolidin-2-one dihydrochloride
CID 121552999
N-(2,2',5,5'-Tetramethyl-3-carboxypyrroline-1-oxyl)imidazole
CID 194126
N-cyclopropyl-1-isobutyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 50973796

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1,2,2-trimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 91843751) is 1,2,2-trimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1,2,2-trimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1,2,2-trimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is CN1C(=O)CC(C(=O)NCCc2nccn2C)C1(C)C.
What is the InChIKey of 1,2,2-trimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LUQVNGHMMYSDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2)10(9-12(19)18(14)4)13(20)16-6-5-11-15-7-8-17(11)3/h7-8,10H,5-6,9H2,1-4H3,(H,16,20).
What are the key properties of 1,2,2-trimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1,2,2-trimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 91843751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).