1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine

C11H15N3O — CID 116961533

IUPAC1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
SMILESCNC(OC)c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C11H15N3O/c1-7-13-9-5-4-8(6-10(9)14-7)11(12-2)15-3/h4-6,11-12H,1-3H3,(H,13,14)
InChIKeyJQZCAEFXJGNHLS-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.74
Rot. Bonds3

About 1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine

1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine (PubChem CID 116961533) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
PubChem CID116961533
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
SMILESCNC(OC)c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C11H15N3O/c1-7-13-9-5-4-8(6-10(9)14-7)11(12-2)15-3/h4-6,11-12H,1-3H3,(H,13,14)
InChIKeyJQZCAEFXJGNHLS-UHFFFAOYSA-N
XLogP1.74
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol
CID 116954709
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
2-(methylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 116961662
hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116947494
4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline
CID 116936897
N-(3-methoxybutan-2-yl)-2-methyl-3H-benzimidazol-5-amine
CID 115929031
methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 116857134
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine
CID 82491804
3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 116850693
3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide
CID 116849707
1-(2-methyl-3H-benzimidazol-5-yl)propane-1,2,3-triol
CID 170818053
2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine
CID 116947203

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine?
The IUPAC name of 1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine (CID 116961533) is 1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine.
What is the SMILES notation for 1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine?
The canonical SMILES for 1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine is CNC(OC)c1ccc2nc(C)[nH]c2c1.
What is the InChIKey of 1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine?
The InChIKey is JQZCAEFXJGNHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-13-9-5-4-8(6-10(9)14-7)11(12-2)15-3/h4-6,11-12H,1-3H3,(H,13,14).
What are the key properties of 1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine?
1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine has a molecular weight of 205.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine is sourced from PubChem (CID 116961533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).