2-(5-methyl-1H-imidazol-4-yl)-1-[2-(1-phenylpyrazol-4-yl)ethyl]imidazole

C18H18N6 — CID 56865326

IUPAC2-(5-methyl-1H-imidazol-4-yl)-1-[2-(1-phenylpyrazol-4-yl)ethyl]imidazole
SMILESCc1[nH]cnc1-c1nccn1CCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H18N6/c1-14-17(21-13-20-14)18-19-8-10-23(18)9-7-15-11-22-24(12-15)16-5-3-2-4-6-16/h2-6,8,10-13H,7,9H2,1H3,(H,20,21)
InChIKeyYHNBCXLMUBGVFJ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.01
Rot. Bonds5

About 2-(5-methyl-1H-imidazol-4-yl)-1-[2-(1-phenylpyrazol-4-yl)ethyl]imidazole

2-(5-methyl-1H-imidazol-4-yl)-1-[2-(1-phenylpyrazol-4-yl)ethyl]imidazole (PubChem CID 56865326) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(5-methyl-1H-imidazol-4-yl)-1-[2-(1-phenylpyrazol-4-yl)ethyl]imidazole.

Molecular Properties

Compound Name2-(5-methyl-1H-imidazol-4-yl)-1-[2-(1-phenylpyrazol-4-yl)ethyl]imidazole
PubChem CID56865326
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name2-(5-methyl-1H-imidazol-4-yl)-1-[2-(1-phenylpyrazol-4-yl)ethyl]imidazole
SMILESCc1[nH]cnc1-c1nccn1CCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H18N6/c1-14-17(21-13-20-14)18-19-8-10-23(18)9-7-15-11-22-24(12-15)16-5-3-2-4-6-16/h2-6,8,10-13H,7,9H2,1H3,(H,20,21)
InChIKeyYHNBCXLMUBGVFJ-UHFFFAOYSA-N
XLogP3.01
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-imidazol-4-yl)-1-[2-(1-phenylpyrazol-4-yl)ethyl]imidazole?
The IUPAC name of 2-(5-methyl-1H-imidazol-4-yl)-1-[2-(1-phenylpyrazol-4-yl)ethyl]imidazole (CID 56865326) is 2-(5-methyl-1H-imidazol-4-yl)-1-[2-(1-phenylpyrazol-4-yl)ethyl]imidazole.
What is the SMILES notation for 2-(5-methyl-1H-imidazol-4-yl)-1-[2-(1-phenylpyrazol-4-yl)ethyl]imidazole?
The canonical SMILES for 2-(5-methyl-1H-imidazol-4-yl)-1-[2-(1-phenylpyrazol-4-yl)ethyl]imidazole is Cc1[nH]cnc1-c1nccn1CCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(5-methyl-1H-imidazol-4-yl)-1-[2-(1-phenylpyrazol-4-yl)ethyl]imidazole?
The InChIKey is YHNBCXLMUBGVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-14-17(21-13-20-14)18-19-8-10-23(18)9-7-15-11-22-24(12-15)16-5-3-2-4-6-16/h2-6,8,10-13H,7,9H2,1H3,(H,20,21).
What are the key properties of 2-(5-methyl-1H-imidazol-4-yl)-1-[2-(1-phenylpyrazol-4-yl)ethyl]imidazole?
2-(5-methyl-1H-imidazol-4-yl)-1-[2-(1-phenylpyrazol-4-yl)ethyl]imidazole has a molecular weight of 318.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-imidazol-4-yl)-1-[2-(1-phenylpyrazol-4-yl)ethyl]imidazole is sourced from PubChem (CID 56865326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).