4-(4,5-dimethylimidazol-1-yl)-N,N-dipropylbutanamide

C15H27N3O — CID 19964902

IUPAC4-(4,5-dimethylimidazol-1-yl)-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)CCCn1cnc(C)c1C
InChIInChI=1S/C15H27N3O/c1-5-9-17(10-6-2)15(19)8-7-11-18-12-16-13(3)14(18)4/h12H,5-11H2,1-4H3
InChIKeyTUEMLROUHRCWFZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.93
Rot. Bonds8

About 4-(4,5-dimethylimidazol-1-yl)-N,N-dipropylbutanamide

4-(4,5-dimethylimidazol-1-yl)-N,N-dipropylbutanamide (PubChem CID 19964902) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-N,N-dipropylbutanamide.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-N,N-dipropylbutanamide
PubChem CID19964902
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)CCCn1cnc(C)c1C
InChIInChI=1S/C15H27N3O/c1-5-9-17(10-6-2)15(19)8-7-11-18-12-16-13(3)14(18)4/h12H,5-11H2,1-4H3
InChIKeyTUEMLROUHRCWFZ-UHFFFAOYSA-N
XLogP2.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 188401
1-[4-(4-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065549
1-[4-(3,5-Dimethylimidazol-3-ium-1-yl)but-2-ynyl]pyrrolidin-2-one iodide
CID 15065587
U 80816B
CID 188400
(2S)-2-acetamido-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentanamide
CID 100066644
(3S)-1,3-dimethyl-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-2-one
CID 164635519
4,5-Dimethyl-1,3-di(propan-2-yl)imidazol-1-ium;oxomethylidenephosphanide
CID 139174505
1-[4-(3,5-Dimethylimidazol-3-ium-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065588
2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 56789699
N,N-dimethyl-1-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide
CID 97519491
1-(4,5-Dimethyl-1H-imidazol-1-yl)ethan-1-one
CID 12415055
1-Butyl-4,5-dimethylimidazole
CID 18671206

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-N,N-dipropylbutanamide?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-N,N-dipropylbutanamide (CID 19964902) is 4-(4,5-dimethylimidazol-1-yl)-N,N-dipropylbutanamide.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-N,N-dipropylbutanamide?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-N,N-dipropylbutanamide is CCCN(CCC)C(=O)CCCn1cnc(C)c1C.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-N,N-dipropylbutanamide?
The InChIKey is TUEMLROUHRCWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-9-17(10-6-2)15(19)8-7-11-18-12-16-13(3)14(18)4/h12H,5-11H2,1-4H3.
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-N,N-dipropylbutanamide?
4-(4,5-dimethylimidazol-1-yl)-N,N-dipropylbutanamide has a molecular weight of 265.40 g/mol, XLogP of 2.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylimidazol-1-yl)-N,N-dipropylbutanamide is sourced from PubChem (CID 19964902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).