1-[3-hydroxy-5-methyl-2-(2-methylphenyl)imidazol-4-yl]-N,N-dimethylmethanamine

C14H19N3O — CID 23332858

IUPAC1-[3-hydroxy-5-methyl-2-(2-methylphenyl)imidazol-4-yl]-N,N-dimethylmethanamine
SMILESCc1ccccc1-c1nc(C)c(CN(C)C)n1O
InChIInChI=1S/C14H19N3O/c1-10-7-5-6-8-12(10)14-15-11(2)13(17(14)18)9-16(3)4/h5-8,18H,9H2,1-4H3
InChIKeyRYGQNKVOYKDZGD-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.47
Rot. Bonds3

About 1-[3-hydroxy-5-methyl-2-(2-methylphenyl)imidazol-4-yl]-N,N-dimethylmethanamine

1-[3-hydroxy-5-methyl-2-(2-methylphenyl)imidazol-4-yl]-N,N-dimethylmethanamine (PubChem CID 23332858) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[3-hydroxy-5-methyl-2-(2-methylphenyl)imidazol-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-hydroxy-5-methyl-2-(2-methylphenyl)imidazol-4-yl]-N,N-dimethylmethanamine
PubChem CID23332858
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[3-hydroxy-5-methyl-2-(2-methylphenyl)imidazol-4-yl]-N,N-dimethylmethanamine
SMILESCc1ccccc1-c1nc(C)c(CN(C)C)n1O
InChIInChI=1S/C14H19N3O/c1-10-7-5-6-8-12(10)14-15-11(2)13(17(14)18)9-16(3)4/h5-8,18H,9H2,1-4H3
InChIKeyRYGQNKVOYKDZGD-UHFFFAOYSA-N
XLogP2.47
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-5-methyl-2-(2-methylphenyl)imidazol-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-hydroxy-5-methyl-2-(2-methylphenyl)imidazol-4-yl]-N,N-dimethylmethanamine (CID 23332858) is 1-[3-hydroxy-5-methyl-2-(2-methylphenyl)imidazol-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-hydroxy-5-methyl-2-(2-methylphenyl)imidazol-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-hydroxy-5-methyl-2-(2-methylphenyl)imidazol-4-yl]-N,N-dimethylmethanamine is Cc1ccccc1-c1nc(C)c(CN(C)C)n1O.
What is the InChIKey of 1-[3-hydroxy-5-methyl-2-(2-methylphenyl)imidazol-4-yl]-N,N-dimethylmethanamine?
The InChIKey is RYGQNKVOYKDZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-7-5-6-8-12(10)14-15-11(2)13(17(14)18)9-16(3)4/h5-8,18H,9H2,1-4H3.
What are the key properties of 1-[3-hydroxy-5-methyl-2-(2-methylphenyl)imidazol-4-yl]-N,N-dimethylmethanamine?
1-[3-hydroxy-5-methyl-2-(2-methylphenyl)imidazol-4-yl]-N,N-dimethylmethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-5-methyl-2-(2-methylphenyl)imidazol-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 23332858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).