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

C9H8N6 — CID 164804423

IUPAC5-(1H-imidazol-2-yl)-2-(1H-imidazol-5-yl)-1H-imidazole
SMILESc1c[nH]c(-c2cnc(-c3cnc[nH]3)[nH]2)n1
InChIInChI=1S/C9H8N6/c1-2-12-8(11-1)7-4-13-9(15-7)6-3-10-5-14-6/h1-5H,(H,10,14)(H,11,12)(H,13,15)
InChIKeyJNDVSMGVTLAUJT-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.19
Rot. Bonds2

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

5-(1H-imidazol-2-yl)-2-(1H-imidazol-5-yl)-1H-imidazole (PubChem CID 164804423) has the molecular formula C9H8N6 and a molecular weight of 200.21 g/mol. Its IUPAC name is 5-(1H-imidazol-2-yl)-2-(1H-imidazol-5-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(1H-imidazol-2-yl)-2-(1H-imidazol-5-yl)-1H-imidazole
PubChem CID164804423
Molecular FormulaC9H8N6
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name5-(1H-imidazol-2-yl)-2-(1H-imidazol-5-yl)-1H-imidazole
SMILESc1c[nH]c(-c2cnc(-c3cnc[nH]3)[nH]2)n1
InChIInChI=1S/C9H8N6/c1-2-12-8(11-1)7-4-13-9(15-7)6-3-10-5-14-6/h1-5H,(H,10,14)(H,11,12)(H,13,15)
InChIKeyJNDVSMGVTLAUJT-UHFFFAOYSA-N
XLogP1.19
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-yl)-2-(1H-imidazol-5-yl)-1H-imidazole?
The IUPAC name of 5-(1H-imidazol-2-yl)-2-(1H-imidazol-5-yl)-1H-imidazole (CID 164804423) is 5-(1H-imidazol-2-yl)-2-(1H-imidazol-5-yl)-1H-imidazole.
What is the SMILES notation for 5-(1H-imidazol-2-yl)-2-(1H-imidazol-5-yl)-1H-imidazole?
The canonical SMILES for 5-(1H-imidazol-2-yl)-2-(1H-imidazol-5-yl)-1H-imidazole is c1c[nH]c(-c2cnc(-c3cnc[nH]3)[nH]2)n1.
What is the InChIKey of 5-(1H-imidazol-2-yl)-2-(1H-imidazol-5-yl)-1H-imidazole?
The InChIKey is JNDVSMGVTLAUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6/c1-2-12-8(11-1)7-4-13-9(15-7)6-3-10-5-14-6/h1-5H,(H,10,14)(H,11,12)(H,13,15).
What are the key properties of 5-(1H-imidazol-2-yl)-2-(1H-imidazol-5-yl)-1H-imidazole?
5-(1H-imidazol-2-yl)-2-(1H-imidazol-5-yl)-1H-imidazole has a molecular weight of 200.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-yl)-2-(1H-imidazol-5-yl)-1H-imidazole is sourced from PubChem (CID 164804423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).