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

C10H17N3O — CID 54539106

IUPAC3-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1cnc(C)c1C
InChIInChI=1S/C10H17N3O/c1-4-11-10(14)5-6-13-7-12-8(2)9(13)3/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyBBFIBOQCSPNMNP-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.03
Rot. Bonds4

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

3-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide (PubChem CID 54539106) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide
PubChem CID54539106
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1cnc(C)c1C
InChIInChI=1S/C10H17N3O/c1-4-11-10(14)5-6-13-7-12-8(2)9(13)3/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyBBFIBOQCSPNMNP-UHFFFAOYSA-N
XLogP1.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.03
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
N-[2-(4,5-dimethyl-1H-imidazol-1-yl)ethyl]-3-(2-ethyl-1H-imidazol-1-yl)propanamide
CID 90647467
(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
N-hexyl-1,4,5-trimethylimidazole-2-carboxamide
CID 162398071
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
2-methyl-1-[(4-methyl-1H-imidazol-5-yl)methyl]-1,4-diazepan-5-one
CID 50956336

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide?
The IUPAC name of 3-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide (CID 54539106) is 3-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide is CCNC(=O)CCn1cnc(C)c1C.
What is the InChIKey of 3-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide?
The InChIKey is BBFIBOQCSPNMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-11-10(14)5-6-13-7-12-8(2)9(13)3/h7H,4-6H2,1-3H3,(H,11,14).
What are the key properties of 3-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide?
3-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide has a molecular weight of 195.27 g/mol, XLogP of 1.03, 4 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-ethylpropanamide is sourced from PubChem (CID 54539106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).