1-methylimidazole;5-methyl-1H-imidazole

C8H12N4 — CID 70518554

IUPAC1-methylimidazole;5-methyl-1H-imidazole
SMILESCc1cnc[nH]1.Cn1ccnc1
InChIInChI=1S/2C4H6N2/c1-4-2-5-3-6-4;1-6-3-2-5-4-6/h2-3H,1H3,(H,5,6);2-4H,1H3
InChIKeySJVJVJPWPBANNS-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.14
Rot. Bonds

About 1-methylimidazole;5-methyl-1H-imidazole

1-methylimidazole;5-methyl-1H-imidazole (PubChem CID 70518554) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-methylimidazole;5-methyl-1H-imidazole.

Molecular Properties

Compound Name1-methylimidazole;5-methyl-1H-imidazole
PubChem CID70518554
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name1-methylimidazole;5-methyl-1H-imidazole
SMILESCc1cnc[nH]1.Cn1ccnc1
InChIInChI=1S/2C4H6N2/c1-4-2-5-3-6-4;1-6-3-2-5-4-6/h2-3H,1H3,(H,5,6);2-4H,1H3
InChIKeySJVJVJPWPBANNS-UHFFFAOYSA-N
XLogP1.14
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;5-methyl-1H-imidazole?
The IUPAC name of 1-methylimidazole;5-methyl-1H-imidazole (CID 70518554) is 1-methylimidazole;5-methyl-1H-imidazole.
What is the SMILES notation for 1-methylimidazole;5-methyl-1H-imidazole?
The canonical SMILES for 1-methylimidazole;5-methyl-1H-imidazole is Cc1cnc[nH]1.Cn1ccnc1.
What is the InChIKey of 1-methylimidazole;5-methyl-1H-imidazole?
The InChIKey is SJVJVJPWPBANNS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6N2/c1-4-2-5-3-6-4;1-6-3-2-5-4-6/h2-3H,1H3,(H,5,6);2-4H,1H3.
What are the key properties of 1-methylimidazole;5-methyl-1H-imidazole?
1-methylimidazole;5-methyl-1H-imidazole has a molecular weight of 164.21 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole;5-methyl-1H-imidazole is sourced from PubChem (CID 70518554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).