2-(1H-imidazol-2-yl)-1-methylimidazole

C7H8N4 — CID 15801525

IUPAC2-(1H-imidazol-2-yl)-1-methylimidazole
SMILESCn1ccnc1-c1ncc[nH]1
InChIInChI=1S/C7H8N4/c1-11-5-4-10-7(11)6-8-2-3-9-6/h2-5H,1H3,(H,8,9)
InChIKeyARMMGWZEBIQBPD-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.81
Rot. Bonds1

About 2-(1H-imidazol-2-yl)-1-methylimidazole

2-(1H-imidazol-2-yl)-1-methylimidazole (PubChem CID 15801525) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-methylimidazole.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-methylimidazole
PubChem CID15801525
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name2-(1H-imidazol-2-yl)-1-methylimidazole
SMILESCn1ccnc1-c1ncc[nH]1
InChIInChI=1S/C7H8N4/c1-11-5-4-10-7(11)6-8-2-3-9-6/h2-5H,1H3,(H,8,9)
InChIKeyARMMGWZEBIQBPD-UHFFFAOYSA-N
XLogP0.81
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-methylimidazole?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-methylimidazole (CID 15801525) is 2-(1H-imidazol-2-yl)-1-methylimidazole.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-methylimidazole?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-methylimidazole is Cn1ccnc1-c1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-methylimidazole?
The InChIKey is ARMMGWZEBIQBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-11-5-4-10-7(11)6-8-2-3-9-6/h2-5H,1H3,(H,8,9).
What are the key properties of 2-(1H-imidazol-2-yl)-1-methylimidazole?
2-(1H-imidazol-2-yl)-1-methylimidazole has a molecular weight of 148.17 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-methylimidazole is sourced from PubChem (CID 15801525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).