2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1-[5-(1H-pyrazol-5-yl)-1H-pyrazol-3-yl]imidazole

C15H12N10 — CID 137079183

IUPAC2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1-[5-(1H-pyrazol-5-yl)-1H-pyrazol-3-yl]imidazole
SMILESc1cc(-c2cc(-n3ccnc3-c3ncc(-c4cnc[nH]4)[nH]3)n[nH]2)[nH]n1
InChIInChI=1S/C15H12N10/c1-2-20-22-9(1)10-5-13(24-23-10)25-4-3-17-15(25)14-18-7-12(21-14)11-6-16-8-19-11/h1-8H,(H,16,19)(H,18,21)(H,20,22)(H,23,24)
InChIKeyIWDORDFHIJYQSM-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.77
Rot. Bonds4

About 2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1-[5-(1H-pyrazol-5-yl)-1H-pyrazol-3-yl]imidazole

2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1-[5-(1H-pyrazol-5-yl)-1H-pyrazol-3-yl]imidazole (PubChem CID 137079183) has the molecular formula C15H12N10 and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1-[5-(1H-pyrazol-5-yl)-1H-pyrazol-3-yl]imidazole.

Molecular Properties

Compound Name2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1-[5-(1H-pyrazol-5-yl)-1H-pyrazol-3-yl]imidazole
PubChem CID137079183
Molecular FormulaC15H12N10
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1-[5-(1H-pyrazol-5-yl)-1H-pyrazol-3-yl]imidazole
SMILESc1cc(-c2cc(-n3ccnc3-c3ncc(-c4cnc[nH]4)[nH]3)n[nH]2)[nH]n1
InChIInChI=1S/C15H12N10/c1-2-20-22-9(1)10-5-13(24-23-10)25-4-3-17-15(25)14-18-7-12(21-14)11-6-16-8-19-11/h1-8H,(H,16,19)(H,18,21)(H,20,22)(H,23,24)
InChIKeyIWDORDFHIJYQSM-UHFFFAOYSA-N
XLogP1.77
TPSA132.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Amino-6-Methyl-1,3,5-Triazin-2-Yl)-N-(1h-Pyrazol-5-Yl)imidazo[1,2-A]pyridin-2-Amine
CID 49835055
3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706472
6-(1h-Pyrazol-3-Yl)-3-(1h-Pyrazol-4-Yl)imidazo[1,2-A]pyrazine
CID 46911673
3-(2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine
CID 62706476
US10183946, Example 26
CID 121320513
5'-methyl-1-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1H,3'H-2,4'-biimidazole
CID 70770387
6-(1H-pyrazol-4-yl)-3-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrazine
CID 136016455
N-(1-(1H-pyrazol-3-yl)-1H-imidazol-4-yl)-2-(2-(pyridin-2-yl)pyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 142498415
1-Pyrazolylbenzimidazole
CID 17981882
6-Pyrazolylpurine
CID 69964270
Bis(imidazolyl)porphyrin
CID 129655504
1-phenyl-4H-imidazo[4,5-d]pyrazole
CID 136601546

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1-[5-(1H-pyrazol-5-yl)-1H-pyrazol-3-yl]imidazole?
The IUPAC name of 2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1-[5-(1H-pyrazol-5-yl)-1H-pyrazol-3-yl]imidazole (CID 137079183) is 2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1-[5-(1H-pyrazol-5-yl)-1H-pyrazol-3-yl]imidazole.
What is the SMILES notation for 2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1-[5-(1H-pyrazol-5-yl)-1H-pyrazol-3-yl]imidazole?
The canonical SMILES for 2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1-[5-(1H-pyrazol-5-yl)-1H-pyrazol-3-yl]imidazole is c1cc(-c2cc(-n3ccnc3-c3ncc(-c4cnc[nH]4)[nH]3)n[nH]2)[nH]n1.
What is the InChIKey of 2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1-[5-(1H-pyrazol-5-yl)-1H-pyrazol-3-yl]imidazole?
The InChIKey is IWDORDFHIJYQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N10/c1-2-20-22-9(1)10-5-13(24-23-10)25-4-3-17-15(25)14-18-7-12(21-14)11-6-16-8-19-11/h1-8H,(H,16,19)(H,18,21)(H,20,22)(H,23,24).
What are the key properties of 2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1-[5-(1H-pyrazol-5-yl)-1H-pyrazol-3-yl]imidazole?
2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1-[5-(1H-pyrazol-5-yl)-1H-pyrazol-3-yl]imidazole has a molecular weight of 332.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1-[5-(1H-pyrazol-5-yl)-1H-pyrazol-3-yl]imidazole is sourced from PubChem (CID 137079183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).