3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide

C9H15N3O — CID 54510194

IUPAC3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1cnc(C)c1C
InChIInChI=1S/C9H15N3O/c1-7-8(2)12(6-11-7)5-4-9(13)10-3/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyCGSYBIVKXXMUJO-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.64
Rot. Bonds3

About 3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide

3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide (PubChem CID 54510194) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide
PubChem CID54510194
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1cnc(C)c1C
InChIInChI=1S/C9H15N3O/c1-7-8(2)12(6-11-7)5-4-9(13)10-3/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyCGSYBIVKXXMUJO-UHFFFAOYSA-N
XLogP0.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(5-methylimidazol-1-yl)but-2-ynyl]acetamide
CID 15065556
(2S)-2-acetamido-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentanamide
CID 100066644
N-[2-(5-methyl-1-propyl-1H-imidazol-2-yl)ethyl]propanamide
CID 124057663
2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53685528
N-(1-(4,5-dicyano-1H-imidazol-1-yl)-1-oxopropan-2-yl)acetamide
CID 154585660
2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 56789699
N-[3-(4,5-dicyanoimidazol-1-yl)propyl]-2,2,2-trifluoroacetamide
CID 86794669
2-(4,5-dimethylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 115616733
N-methyl-3-{methyl[(4-methyl-1H-imidazol-5-yl)methyl]amino}butanamide
CID 50954861
N,N-dimethyl-2-{methyl[(4-methyl-1H-imidazol-5-yl)methyl]amino}propanamide
CID 50982626
1-(4,5-Dimethyl-1H-imidazol-1-yl)ethan-1-one
CID 12415055
2,3,5-trimethyl-5,6-dihydroimidazo[1,2-a]pyrimidin-7(8H)-one
CID 137219272

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide?
The IUPAC name of 3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide (CID 54510194) is 3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide is CNC(=O)CCn1cnc(C)c1C.
What is the InChIKey of 3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide?
The InChIKey is CGSYBIVKXXMUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-8(2)12(6-11-7)5-4-9(13)10-3/h6H,4-5H2,1-3H3,(H,10,13).
What are the key properties of 3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide?
3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide has a molecular weight of 181.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 54510194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).