1-benzyl-5-(methoxymethyl)-5-methyl-4H-imidazol-2-amine

C13H19N3O — CID 79505944

IUPAC1-benzyl-5-(methoxymethyl)-5-methyl-4H-imidazol-2-amine
SMILESCOCC1(C)CN=C(N)N1Cc1ccccc1
InChIInChI=1S/C13H19N3O/c1-13(10-17-2)9-15-12(14)16(13)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H2,14,15)
InChIKeyLKGNWGXLGULRFZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.22
Rot. Bonds4

About 1-benzyl-5-(methoxymethyl)-5-methyl-4H-imidazol-2-amine

1-benzyl-5-(methoxymethyl)-5-methyl-4H-imidazol-2-amine (PubChem CID 79505944) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-benzyl-5-(methoxymethyl)-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-5-(methoxymethyl)-5-methyl-4H-imidazol-2-amine
PubChem CID79505944
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-benzyl-5-(methoxymethyl)-5-methyl-4H-imidazol-2-amine
SMILESCOCC1(C)CN=C(N)N1Cc1ccccc1
InChIInChI=1S/C13H19N3O/c1-13(10-17-2)9-15-12(14)16(13)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H2,14,15)
InChIKeyLKGNWGXLGULRFZ-UHFFFAOYSA-N
XLogP1.22
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(methoxymethyl)-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 1-benzyl-5-(methoxymethyl)-5-methyl-4H-imidazol-2-amine (CID 79505944) is 1-benzyl-5-(methoxymethyl)-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 1-benzyl-5-(methoxymethyl)-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 1-benzyl-5-(methoxymethyl)-5-methyl-4H-imidazol-2-amine is COCC1(C)CN=C(N)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(methoxymethyl)-5-methyl-4H-imidazol-2-amine?
The InChIKey is LKGNWGXLGULRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(10-17-2)9-15-12(14)16(13)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H2,14,15).
What are the key properties of 1-benzyl-5-(methoxymethyl)-5-methyl-4H-imidazol-2-amine?
1-benzyl-5-(methoxymethyl)-5-methyl-4H-imidazol-2-amine has a molecular weight of 233.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(methoxymethyl)-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79505944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).