(4-methoxy-2-methyl-1H-imidazol-5-yl)methanamine

C6H11N3O — CID 67114166

IUPAC(4-methoxy-2-methyl-1H-imidazol-5-yl)methanamine
SMILESCOc1nc(C)[nH]c1CN
InChIInChI=1S/C6H11N3O/c1-4-8-5(3-7)6(9-4)10-2/h3,7H2,1-2H3,(H,8,9)
InChIKeyFECMYXHCRNHKMQ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.19
Rot. Bonds2

About (4-methoxy-2-methyl-1H-imidazol-5-yl)methanamine

(4-methoxy-2-methyl-1H-imidazol-5-yl)methanamine (PubChem CID 67114166) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (4-methoxy-2-methyl-1H-imidazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-2-methyl-1H-imidazol-5-yl)methanamine
PubChem CID67114166
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(4-methoxy-2-methyl-1H-imidazol-5-yl)methanamine
SMILESCOc1nc(C)[nH]c1CN
InChIInChI=1S/C6H11N3O/c1-4-8-5(3-7)6(9-4)10-2/h3,7H2,1-2H3,(H,8,9)
InChIKeyFECMYXHCRNHKMQ-UHFFFAOYSA-N
XLogP0.19
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methyl-1H-imidazol-5-yl)methanamine?
The IUPAC name of (4-methoxy-2-methyl-1H-imidazol-5-yl)methanamine (CID 67114166) is (4-methoxy-2-methyl-1H-imidazol-5-yl)methanamine.
What is the SMILES notation for (4-methoxy-2-methyl-1H-imidazol-5-yl)methanamine?
The canonical SMILES for (4-methoxy-2-methyl-1H-imidazol-5-yl)methanamine is COc1nc(C)[nH]c1CN.
What is the InChIKey of (4-methoxy-2-methyl-1H-imidazol-5-yl)methanamine?
The InChIKey is FECMYXHCRNHKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4-8-5(3-7)6(9-4)10-2/h3,7H2,1-2H3,(H,8,9).
What are the key properties of (4-methoxy-2-methyl-1H-imidazol-5-yl)methanamine?
(4-methoxy-2-methyl-1H-imidazol-5-yl)methanamine has a molecular weight of 141.17 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methyl-1H-imidazol-5-yl)methanamine is sourced from PubChem (CID 67114166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).