2-(5-ethyl-1H-pyrazol-3-yl)-1-[(4-phenyloxan-4-yl)methyl]imidazole

C20H24N4O — CID 56874744

IUPAC2-(5-ethyl-1H-pyrazol-3-yl)-1-[(4-phenyloxan-4-yl)methyl]imidazole
SMILESCCc1cc(-c2nccn2CC2(c3ccccc3)CCOCC2)n[nH]1
InChIInChI=1S/C20H24N4O/c1-2-17-14-18(23-22-17)19-21-10-11-24(19)15-20(8-12-25-13-9-20)16-6-4-3-5-7-16/h3-7,10-11,14H,2,8-9,12-13,15H2,1H3,(H,22,23)
InChIKeyIDVQXNNLMSVCAT-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.58
Rot. Bonds5

About 2-(5-ethyl-1H-pyrazol-3-yl)-1-[(4-phenyloxan-4-yl)methyl]imidazole

2-(5-ethyl-1H-pyrazol-3-yl)-1-[(4-phenyloxan-4-yl)methyl]imidazole (PubChem CID 56874744) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(5-ethyl-1H-pyrazol-3-yl)-1-[(4-phenyloxan-4-yl)methyl]imidazole.

Molecular Properties

Compound Name2-(5-ethyl-1H-pyrazol-3-yl)-1-[(4-phenyloxan-4-yl)methyl]imidazole
PubChem CID56874744
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-(5-ethyl-1H-pyrazol-3-yl)-1-[(4-phenyloxan-4-yl)methyl]imidazole
SMILESCCc1cc(-c2nccn2CC2(c3ccccc3)CCOCC2)n[nH]1
InChIInChI=1S/C20H24N4O/c1-2-17-14-18(23-22-17)19-21-10-11-24(19)15-20(8-12-25-13-9-20)16-6-4-3-5-7-16/h3-7,10-11,14H,2,8-9,12-13,15H2,1H3,(H,22,23)
InChIKeyIDVQXNNLMSVCAT-UHFFFAOYSA-N
XLogP3.58
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1H-pyrazol-3-yl)-1-[(4-phenyloxan-4-yl)methyl]imidazole?
The IUPAC name of 2-(5-ethyl-1H-pyrazol-3-yl)-1-[(4-phenyloxan-4-yl)methyl]imidazole (CID 56874744) is 2-(5-ethyl-1H-pyrazol-3-yl)-1-[(4-phenyloxan-4-yl)methyl]imidazole.
What is the SMILES notation for 2-(5-ethyl-1H-pyrazol-3-yl)-1-[(4-phenyloxan-4-yl)methyl]imidazole?
The canonical SMILES for 2-(5-ethyl-1H-pyrazol-3-yl)-1-[(4-phenyloxan-4-yl)methyl]imidazole is CCc1cc(-c2nccn2CC2(c3ccccc3)CCOCC2)n[nH]1.
What is the InChIKey of 2-(5-ethyl-1H-pyrazol-3-yl)-1-[(4-phenyloxan-4-yl)methyl]imidazole?
The InChIKey is IDVQXNNLMSVCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-17-14-18(23-22-17)19-21-10-11-24(19)15-20(8-12-25-13-9-20)16-6-4-3-5-7-16/h3-7,10-11,14H,2,8-9,12-13,15H2,1H3,(H,22,23).
What are the key properties of 2-(5-ethyl-1H-pyrazol-3-yl)-1-[(4-phenyloxan-4-yl)methyl]imidazole?
2-(5-ethyl-1H-pyrazol-3-yl)-1-[(4-phenyloxan-4-yl)methyl]imidazole has a molecular weight of 336.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1H-pyrazol-3-yl)-1-[(4-phenyloxan-4-yl)methyl]imidazole is sourced from PubChem (CID 56874744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).