5-(1H-imidazol-2-yl)-1-methylimidazole

C7H8N4 — CID 82902666

IUPAC5-(1H-imidazol-2-yl)-1-methylimidazole
SMILESCn1cncc1-c1ncc[nH]1
InChIInChI=1S/C7H8N4/c1-11-5-8-4-6(11)7-9-2-3-10-7/h2-5H,1H3,(H,9,10)
InChIKeyTWRSYEMHBXOQMU-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.81
Rot. Bonds1

About 5-(1H-imidazol-2-yl)-1-methylimidazole

5-(1H-imidazol-2-yl)-1-methylimidazole (PubChem CID 82902666) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 5-(1H-imidazol-2-yl)-1-methylimidazole.

Molecular Properties

Compound Name5-(1H-imidazol-2-yl)-1-methylimidazole
PubChem CID82902666
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name5-(1H-imidazol-2-yl)-1-methylimidazole
SMILESCn1cncc1-c1ncc[nH]1
InChIInChI=1S/C7H8N4/c1-11-5-8-4-6(11)7-9-2-3-10-7/h2-5H,1H3,(H,9,10)
InChIKeyTWRSYEMHBXOQMU-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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Related Compounds

MAT-POS-ea426761-49
CID 56864220
4-propyl-1H-imidazo[2,1-f]purin-5-one
CID 10536740
2-(4-1H-imidazolyl)-4-trifluoromethyl-1H-imidazole
CID 10488302
4-Trifluoromethyl-2,2'-bi[1H-imidazole]
CID 13663747
2-(1H-imidazol-2-yl)-1H-imidazole-5-carbonitrile
CID 13663754
2-(1H-imidazol-2-yl)-3-methylimidazole-4-carbonitrile
CID 19877956
2-(1H-imidazol-2-yl)-5-methyl-1H-imidazole
CID 44339795
2-(1H-imidazol-5-yl)-1H-imidazole-5-carbonitrile
CID 44339902
2-(1H-imidazol-2-yl)-1-methylimidazole-4-carbonitrile
CID 135708785
(1H-imidazol-4-ylmethyl)(methyl)amine
CID 20675588
2-(1-methylimidazol-2-yl)-1H-imidazole-5-carbonitrile
CID 13663755
5-(1H-imidazol-2-yl)-1H-imidazole-4-carbonitrile
CID 44339716

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-yl)-1-methylimidazole?
The IUPAC name of 5-(1H-imidazol-2-yl)-1-methylimidazole (CID 82902666) is 5-(1H-imidazol-2-yl)-1-methylimidazole.
What is the SMILES notation for 5-(1H-imidazol-2-yl)-1-methylimidazole?
The canonical SMILES for 5-(1H-imidazol-2-yl)-1-methylimidazole is Cn1cncc1-c1ncc[nH]1.
What is the InChIKey of 5-(1H-imidazol-2-yl)-1-methylimidazole?
The InChIKey is TWRSYEMHBXOQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-11-5-8-4-6(11)7-9-2-3-10-7/h2-5H,1H3,(H,9,10).
What are the key properties of 5-(1H-imidazol-2-yl)-1-methylimidazole?
5-(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 5-(1H-imidazol-2-yl)-1-methylimidazole is sourced from PubChem (CID 82902666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).