5-(1H-imidazol-5-yl)-2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1H-imidazole

C12H10N8 — CID 10989187

IUPAC5-(1H-imidazol-5-yl)-2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1H-imidazole
SMILESc1ncc(-c2cnc(-c3ncc(-c4cnc[nH]4)[nH]3)[nH]2)[nH]1
InChIInChI=1S/C12H10N8/c1-7(17-5-13-1)9-3-15-11(19-9)12-16-4-10(20-12)8-2-14-6-18-8/h1-6H,(H,13,17)(H,14,18)(H,15,19)(H,16,20)
InChIKeyARMATPWOPSWNOD-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.58
Rot. Bonds3

About 5-(1H-imidazol-5-yl)-2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1H-imidazole

5-(1H-imidazol-5-yl)-2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1H-imidazole (PubChem CID 10989187) has the molecular formula C12H10N8 and a molecular weight of 266.27 g/mol. Its IUPAC name is 5-(1H-imidazol-5-yl)-2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1H-imidazole.

Molecular Properties

Compound Name5-(1H-imidazol-5-yl)-2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1H-imidazole
PubChem CID10989187
Molecular FormulaC12H10N8
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name5-(1H-imidazol-5-yl)-2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1H-imidazole
SMILESc1ncc(-c2cnc(-c3ncc(-c4cnc[nH]4)[nH]3)[nH]2)[nH]1
InChIInChI=1S/C12H10N8/c1-7(17-5-13-1)9-3-15-11(19-9)12-16-4-10(20-12)8-2-14-6-18-8/h1-6H,(H,13,17)(H,14,18)(H,15,19)(H,16,20)
InChIKeyARMATPWOPSWNOD-UHFFFAOYSA-N
XLogP1.58
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4,4'-Bi-1H-imidazole
CID 5255238
4-(1H-imidazol-2-yl)-1-[2-(1H-imidazol-4-yl)ethyl]-1H-1,2,3-triazole
CID 72898518
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
copper;bis(4-(1H-imidazol-4-yl)-1H-imidazole);diperchlorate
CID 139144832
copper;bis(4-(1H-imidazol-4-yl)imidazol-3-ide);trihydrate
CID 139144833
(H~6~Qim)I~2~(dioxisan)~2~
CID 139145639
1-[2-(1H-imidazol-4-yl)ethyl]-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56739332
1-[3-(1H-imidazol-1-yl)propyl]-1H,1'H-2,4'-biimidazole
CID 56739889
2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazin-2-yl]pyrazine
CID 24948870
5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]pyrimidine
CID 24951279
4,11,16,20,23,29-Hexaza-7,9,25,27-tetrazoniaheptacyclo[13.9.3.36,10.03,7.09,13.018,27.022,25]triaconta-1(24),3(7),5,9,12,15(27),17,22(25)-octaene
CID 58003412

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-5-yl)-2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1H-imidazole?
The IUPAC name of 5-(1H-imidazol-5-yl)-2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1H-imidazole (CID 10989187) is 5-(1H-imidazol-5-yl)-2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1H-imidazole.
What is the SMILES notation for 5-(1H-imidazol-5-yl)-2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1H-imidazole?
The canonical SMILES for 5-(1H-imidazol-5-yl)-2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1H-imidazole is c1ncc(-c2cnc(-c3ncc(-c4cnc[nH]4)[nH]3)[nH]2)[nH]1.
What is the InChIKey of 5-(1H-imidazol-5-yl)-2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1H-imidazole?
The InChIKey is ARMATPWOPSWNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N8/c1-7(17-5-13-1)9-3-15-11(19-9)12-16-4-10(20-12)8-2-14-6-18-8/h1-6H,(H,13,17)(H,14,18)(H,15,19)(H,16,20).
What are the key properties of 5-(1H-imidazol-5-yl)-2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1H-imidazole?
5-(1H-imidazol-5-yl)-2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1H-imidazole has a molecular weight of 266.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-5-yl)-2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1H-imidazole is sourced from PubChem (CID 10989187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).