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

C10H17N3O — CID 54289720

IUPAC4-(4,5-dimethylimidazol-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1cnc(C)c1C
InChIInChI=1S/C10H17N3O/c1-8-9(2)13(7-12-8)6-4-5-10(14)11-3/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyPQKQACQXWOKHPB-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.03
Rot. Bonds4

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

4-(4,5-dimethylimidazol-1-yl)-N-methylbutanamide (PubChem CID 54289720) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-N-methylbutanamide
PubChem CID54289720
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1cnc(C)c1C
InChIInChI=1S/C10H17N3O/c1-8-9(2)13(7-12-8)6-4-5-10(14)11-3/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyPQKQACQXWOKHPB-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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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-N-methylbutanamide?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-N-methylbutanamide (CID 54289720) is 4-(4,5-dimethylimidazol-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-N-methylbutanamide is CNC(=O)CCCn1cnc(C)c1C.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-N-methylbutanamide?
The InChIKey is PQKQACQXWOKHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-9(2)13(7-12-8)6-4-5-10(14)11-3/h7H,4-6H2,1-3H3,(H,11,14).
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-N-methylbutanamide?
4-(4,5-dimethylimidazol-1-yl)-N-methylbutanamide 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 4-(4,5-dimethylimidazol-1-yl)-N-methylbutanamide is sourced from PubChem (CID 54289720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).