N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpropanamide

C9H14ClN3O — CID 130815542

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ncc(Cl)n1C
InChIInChI=1S/C9H14ClN3O/c1-6(2)9(14)12-5-8-11-4-7(10)13(8)3/h4,6H,5H2,1-3H3,(H,12,14)
InChIKeyQSNWYBJHVWNUNM-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.35
Rot. Bonds3

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpropanamide

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpropanamide (PubChem CID 130815542) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpropanamide
PubChem CID130815542
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ncc(Cl)n1C
InChIInChI=1S/C9H14ClN3O/c1-6(2)9(14)12-5-8-11-4-7(10)13(8)3/h4,6H,5H2,1-3H3,(H,12,14)
InChIKeyQSNWYBJHVWNUNM-UHFFFAOYSA-N
XLogP1.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpropanamide (CID 130815542) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpropanamide is CC(C)C(=O)NCc1ncc(Cl)n1C.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpropanamide?
The InChIKey is QSNWYBJHVWNUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-6(2)9(14)12-5-8-11-4-7(10)13(8)3/h4,6H,5H2,1-3H3,(H,12,14).
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpropanamide?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpropanamide has a molecular weight of 215.68 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 130815542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).