1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole

C9H16N4 — CID 5245624

IUPAC1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole
SMILESCN1C=CN(CN2C=CN(C)C2)C1
InChIInChI=1S/C9H16N4/c1-10-3-5-12(7-10)9-13-6-4-11(2)8-13/h3-6H,7-9H2,1-2H3
InChIKeyOOPALQFAVZENDG-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.30
Rot. Bonds2

About 1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole

1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole (PubChem CID 5245624) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole
PubChem CID5245624
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole
SMILESCN1C=CN(CN2C=CN(C)C2)C1
InChIInChI=1S/C9H16N4/c1-10-3-5-12(7-10)9-13-6-4-11(2)8-13/h3-6H,7-9H2,1-2H3
InChIKeyOOPALQFAVZENDG-UHFFFAOYSA-N
XLogP0.30
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole?
The IUPAC name of 1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole (CID 5245624) is 1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole.
What is the SMILES notation for 1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole?
The canonical SMILES for 1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole is CN1C=CN(CN2C=CN(C)C2)C1.
What is the InChIKey of 1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole?
The InChIKey is OOPALQFAVZENDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-10-3-5-12(7-10)9-13-6-4-11(2)8-13/h3-6H,7-9H2,1-2H3.
What are the key properties of 1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole?
1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole has a molecular weight of 180.25 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole is sourced from PubChem (CID 5245624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).