1-methyl-2-[(1-methylimidazol-2-yl)methyl]imidazole

C9H12N4 — CID 10080906

IUPAC1-methyl-2-[(1-methylimidazol-2-yl)methyl]imidazole
SMILESCn1ccnc1Cc1nccn1C
InChIInChI=1S/C9H12N4/c1-12-5-3-10-8(12)7-9-11-4-6-13(9)2/h3-6H,7H2,1-2H3
InChIKeyAXJPGQWLRSRHIW-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.74
Rot. Bonds2

About 1-methyl-2-[(1-methylimidazol-2-yl)methyl]imidazole

1-methyl-2-[(1-methylimidazol-2-yl)methyl]imidazole (PubChem CID 10080906) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-methyl-2-[(1-methylimidazol-2-yl)methyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[(1-methylimidazol-2-yl)methyl]imidazole
PubChem CID10080906
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name1-methyl-2-[(1-methylimidazol-2-yl)methyl]imidazole
SMILESCn1ccnc1Cc1nccn1C
InChIInChI=1S/C9H12N4/c1-12-5-3-10-8(12)7-9-11-4-6-13(9)2/h3-6H,7H2,1-2H3
InChIKeyAXJPGQWLRSRHIW-UHFFFAOYSA-N
XLogP0.74
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(1-methylimidazol-2-yl)methyl]imidazole?
The IUPAC name of 1-methyl-2-[(1-methylimidazol-2-yl)methyl]imidazole (CID 10080906) is 1-methyl-2-[(1-methylimidazol-2-yl)methyl]imidazole.
What is the SMILES notation for 1-methyl-2-[(1-methylimidazol-2-yl)methyl]imidazole?
The canonical SMILES for 1-methyl-2-[(1-methylimidazol-2-yl)methyl]imidazole is Cn1ccnc1Cc1nccn1C.
What is the InChIKey of 1-methyl-2-[(1-methylimidazol-2-yl)methyl]imidazole?
The InChIKey is AXJPGQWLRSRHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-12-5-3-10-8(12)7-9-11-4-6-13(9)2/h3-6H,7H2,1-2H3.
What are the key properties of 1-methyl-2-[(1-methylimidazol-2-yl)methyl]imidazole?
1-methyl-2-[(1-methylimidazol-2-yl)methyl]imidazole has a molecular weight of 176.22 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(1-methylimidazol-2-yl)methyl]imidazole is sourced from PubChem (CID 10080906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).