2-[5-methyl-4-(2-methylpropyl)imidazol-1-yl]acetamide

C10H17N3O — CID 58592849

IUPAC2-[5-methyl-4-(2-methylpropyl)imidazol-1-yl]acetamide
SMILESCc1c(CC(C)C)ncn1CC(N)=O
InChIInChI=1S/C10H17N3O/c1-7(2)4-9-8(3)13(6-12-9)5-10(11)14/h6-7H,4-5H2,1-3H3,(H2,11,14)
InChIKeyDIWMMLKFYOGZGX-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.88
Rot. Bonds4

About 2-[5-methyl-4-(2-methylpropyl)imidazol-1-yl]acetamide

2-[5-methyl-4-(2-methylpropyl)imidazol-1-yl]acetamide (PubChem CID 58592849) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[5-methyl-4-(2-methylpropyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-methyl-4-(2-methylpropyl)imidazol-1-yl]acetamide
PubChem CID58592849
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-[5-methyl-4-(2-methylpropyl)imidazol-1-yl]acetamide
SMILESCc1c(CC(C)C)ncn1CC(N)=O
InChIInChI=1S/C10H17N3O/c1-7(2)4-9-8(3)13(6-12-9)5-10(11)14/h6-7H,4-5H2,1-3H3,(H2,11,14)
InChIKeyDIWMMLKFYOGZGX-UHFFFAOYSA-N
XLogP0.88
TPSA60.91 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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(2-methylpropyl)imidazol-1-yl]acetamide?
The IUPAC name of 2-[5-methyl-4-(2-methylpropyl)imidazol-1-yl]acetamide (CID 58592849) is 2-[5-methyl-4-(2-methylpropyl)imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[5-methyl-4-(2-methylpropyl)imidazol-1-yl]acetamide?
The canonical SMILES for 2-[5-methyl-4-(2-methylpropyl)imidazol-1-yl]acetamide is Cc1c(CC(C)C)ncn1CC(N)=O.
What is the InChIKey of 2-[5-methyl-4-(2-methylpropyl)imidazol-1-yl]acetamide?
The InChIKey is DIWMMLKFYOGZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)4-9-8(3)13(6-12-9)5-10(11)14/h6-7H,4-5H2,1-3H3,(H2,11,14).
What are the key properties of 2-[5-methyl-4-(2-methylpropyl)imidazol-1-yl]acetamide?
2-[5-methyl-4-(2-methylpropyl)imidazol-1-yl]acetamide has a molecular weight of 195.27 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(2-methylpropyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 58592849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).