5-(1H-imidazol-5-yl)-1H-imidazole

C6H6N4 — CID 5255238

IUPAC5-(1H-imidazol-5-yl)-1H-imidazole
SMILESc1ncc(-c2cnc[nH]2)[nH]1
InChIInChI=1S/C6H6N4/c1-5(9-3-7-1)6-2-8-4-10-6/h1-4H,(H,7,9)(H,8,10)
InChIKeyXHQBYEXEZXWROH-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.80
Rot. Bonds1

About 5-(1H-imidazol-5-yl)-1H-imidazole

5-(1H-imidazol-5-yl)-1H-imidazole (PubChem CID 5255238) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 5-(1H-imidazol-5-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(1H-imidazol-5-yl)-1H-imidazole
PubChem CID5255238
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name5-(1H-imidazol-5-yl)-1H-imidazole
SMILESc1ncc(-c2cnc[nH]2)[nH]1
InChIInChI=1S/C6H6N4/c1-5(9-3-7-1)6-2-8-4-10-6/h1-4H,(H,7,9)(H,8,10)
InChIKeyXHQBYEXEZXWROH-UHFFFAOYSA-N
XLogP0.80
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-1H-imidazolyl)-4-trifluoromethyl-1H-imidazole
CID 10488302
2-Pyrrol-1-yl-1H-imidazole
CID 22223704
2-(1H-imidazol-5-yl)-1H-imidazole-5-carbonitrile
CID 44339902
2-(1H-imidazol-5-yl)prop-2-en-1-amine
CID 44345335
4-Amino-5-(imidazol-2-yl)imidazole
CID 126356
4-(1H-imidazol-4-yl)-1-methyl-1H-pyrazole
CID 67500785
N-(1H-pyrrol-2-yl)-1H-imidazol-2-amine
CID 91560703
4,4'-Bisimidazole, 2,2'-difluoro-1,1'-dimethyl-
CID 607734
1-(difluoromethyl)-5-(1H-imidazol-5-yl)triazole
CID 165376979
5-(1H-imidazol-5-yl)-2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1H-imidazole
CID 10989187
2-methyl-5-(2-methyl-1H-imidazol-5-yl)-1H-imidazole
CID 11030144
2-ethyl-5-(2-ethyl-1H-imidazol-5-yl)-1H-imidazole
CID 86083948

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-5-yl)-1H-imidazole?
The IUPAC name of 5-(1H-imidazol-5-yl)-1H-imidazole (CID 5255238) is 5-(1H-imidazol-5-yl)-1H-imidazole.
What is the SMILES notation for 5-(1H-imidazol-5-yl)-1H-imidazole?
The canonical SMILES for 5-(1H-imidazol-5-yl)-1H-imidazole is c1ncc(-c2cnc[nH]2)[nH]1.
What is the InChIKey of 5-(1H-imidazol-5-yl)-1H-imidazole?
The InChIKey is XHQBYEXEZXWROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-5(9-3-7-1)6-2-8-4-10-6/h1-4H,(H,7,9)(H,8,10).
What are the key properties of 5-(1H-imidazol-5-yl)-1H-imidazole?
5-(1H-imidazol-5-yl)-1H-imidazole has a molecular weight of 134.14 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-5-yl)-1H-imidazole is sourced from PubChem (CID 5255238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).