2-(1H-imidazol-2-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]imidazole

C15H12N6 — CID 70775814

IUPAC2-(1H-imidazol-2-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]imidazole
SMILESc1c[nH]c(-c2nccn2-c2ccc(-c3cn[nH]c3)cc2)n1
InChIInChI=1S/C15H12N6/c1-3-13(4-2-11(1)12-9-19-20-10-12)21-8-7-18-15(21)14-16-5-6-17-14/h1-10H,(H,16,17)(H,19,20)
InChIKeyDJRWMCOLUVSZAS-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.65
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]imidazole

2-(1H-imidazol-2-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]imidazole (PubChem CID 70775814) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]imidazole.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]imidazole
PubChem CID70775814
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name2-(1H-imidazol-2-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]imidazole
SMILESc1c[nH]c(-c2nccn2-c2ccc(-c3cn[nH]c3)cc2)n1
InChIInChI=1S/C15H12N6/c1-3-13(4-2-11(1)12-9-19-20-10-12)21-8-7-18-15(21)14-16-5-6-17-14/h1-10H,(H,16,17)(H,19,20)
InChIKeyDJRWMCOLUVSZAS-UHFFFAOYSA-N
XLogP2.65
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[4-(1H-pyrazol-4-yl)phenyl]-4H-1,2,4-triazol-3-one
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tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474
2-(1H-imidazol-2-yl)-6-(1-methylimidazol-2-yl)pyridine
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9-[4-(1-phenylimidazol-2-yl)phenyl]carbazole
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7-phenyl-5-(1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidine
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5-(1H-imidazol-2-yl)-2H-benzotriazole
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CID 56913682

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]imidazole?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]imidazole (CID 70775814) is 2-(1H-imidazol-2-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]imidazole.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]imidazole?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]imidazole is c1c[nH]c(-c2nccn2-c2ccc(-c3cn[nH]c3)cc2)n1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]imidazole?
The InChIKey is DJRWMCOLUVSZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c1-3-13(4-2-11(1)12-9-19-20-10-12)21-8-7-18-15(21)14-16-5-6-17-14/h1-10H,(H,16,17)(H,19,20).
What are the key properties of 2-(1H-imidazol-2-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]imidazole?
2-(1H-imidazol-2-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]imidazole has a molecular weight of 276.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]imidazole is sourced from PubChem (CID 70775814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).