2-methoxy-4-methyl-5-(3-methylbutyl)imidazole-1-carboxamide

C11H19N3O2 — CID 175765332

IUPAC2-methoxy-4-methyl-5-(3-methylbutyl)imidazole-1-carboxamide
SMILESCOc1nc(C)c(CCC(C)C)n1C(N)=O
InChIInChI=1S/C11H19N3O2/c1-7(2)5-6-9-8(3)13-11(16-4)14(9)10(12)15/h7H,5-6H2,1-4H3,(H2,12,15)
InChIKeyMWNPADPENUJODE-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.72
Rot. Bonds4

About 2-methoxy-4-methyl-5-(3-methylbutyl)imidazole-1-carboxamide

2-methoxy-4-methyl-5-(3-methylbutyl)imidazole-1-carboxamide (PubChem CID 175765332) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methoxy-4-methyl-5-(3-methylbutyl)imidazole-1-carboxamide.

Molecular Properties

Compound Name2-methoxy-4-methyl-5-(3-methylbutyl)imidazole-1-carboxamide
PubChem CID175765332
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-methoxy-4-methyl-5-(3-methylbutyl)imidazole-1-carboxamide
SMILESCOc1nc(C)c(CCC(C)C)n1C(N)=O
InChIInChI=1S/C11H19N3O2/c1-7(2)5-6-9-8(3)13-11(16-4)14(9)10(12)15/h7H,5-6H2,1-4H3,(H2,12,15)
InChIKeyMWNPADPENUJODE-UHFFFAOYSA-N
XLogP1.72
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-5-(3-methylbutyl)imidazole-1-carboxamide?
The IUPAC name of 2-methoxy-4-methyl-5-(3-methylbutyl)imidazole-1-carboxamide (CID 175765332) is 2-methoxy-4-methyl-5-(3-methylbutyl)imidazole-1-carboxamide.
What is the SMILES notation for 2-methoxy-4-methyl-5-(3-methylbutyl)imidazole-1-carboxamide?
The canonical SMILES for 2-methoxy-4-methyl-5-(3-methylbutyl)imidazole-1-carboxamide is COc1nc(C)c(CCC(C)C)n1C(N)=O.
What is the InChIKey of 2-methoxy-4-methyl-5-(3-methylbutyl)imidazole-1-carboxamide?
The InChIKey is MWNPADPENUJODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(2)5-6-9-8(3)13-11(16-4)14(9)10(12)15/h7H,5-6H2,1-4H3,(H2,12,15).
What are the key properties of 2-methoxy-4-methyl-5-(3-methylbutyl)imidazole-1-carboxamide?
2-methoxy-4-methyl-5-(3-methylbutyl)imidazole-1-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-5-(3-methylbutyl)imidazole-1-carboxamide is sourced from PubChem (CID 175765332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).