5-butan-2-yl-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one

C16H31N3O — CID 83255699

IUPAC5-butan-2-yl-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one
SMILESCCC(C)C1NC(C)N(CC2CCN(C(C)C)C2)C1=O
InChIInChI=1S/C16H31N3O/c1-6-12(4)15-16(20)19(13(5)17-15)10-14-7-8-18(9-14)11(2)3/h11-15,17H,6-10H2,1-5H3
InChIKeyOFQQVRRXMPBNDJ-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.91
Rot. Bonds5

About 5-butan-2-yl-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one

5-butan-2-yl-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one (PubChem CID 83255699) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one
PubChem CID83255699
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name5-butan-2-yl-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one
SMILESCCC(C)C1NC(C)N(CC2CCN(C(C)C)C2)C1=O
InChIInChI=1S/C16H31N3O/c1-6-12(4)15-16(20)19(13(5)17-15)10-14-7-8-18(9-14)11(2)3/h11-15,17H,6-10H2,1-5H3
InChIKeyOFQQVRRXMPBNDJ-UHFFFAOYSA-N
XLogP1.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-butan-2-yl-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one with MolForge

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Related Compounds

5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one
CID 83250080
5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83253941
5-butan-2-yl-2-methyl-3-[(1-propan-2-ylcyclopropyl)methyl]imidazolidin-4-one
CID 114115041
5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one
CID 83259137
5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one
CID 83250695
5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one
CID 83255774
5-butan-2-yl-3-(dicyclopropylmethyl)-2-methylimidazolidin-4-one
CID 83253008
5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one
CID 83239751
5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259869
5-butan-2-yl-2-cyclopentyl-3-[2-(dimethylamino)ethyl]imidazolidin-4-one
CID 83250489
3-butan-2-yl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,4-diazepane
CID 64948958
5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
CID 83264986

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one (CID 83255699) is 5-butan-2-yl-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one is CCC(C)C1NC(C)N(CC2CCN(C(C)C)C2)C1=O.
What is the InChIKey of 5-butan-2-yl-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one?
The InChIKey is OFQQVRRXMPBNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-6-12(4)15-16(20)19(13(5)17-15)10-14-7-8-18(9-14)11(2)3/h11-15,17H,6-10H2,1-5H3.
What are the key properties of 5-butan-2-yl-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one?
5-butan-2-yl-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one has a molecular weight of 281.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one is sourced from PubChem (CID 83255699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).