1-[3-(oxolan-3-yl)propyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole

C22H26N4O — CID 50948796

IUPAC1-[3-(oxolan-3-yl)propyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole
SMILESC=CCn1cc(-c2c(-c3ccccc3)ncn2CCCC2CCOC2)cn1
InChIInChI=1S/C22H26N4O/c1-2-11-26-15-20(14-24-26)22-21(19-8-4-3-5-9-19)23-17-25(22)12-6-7-18-10-13-27-16-18/h2-5,8-9,14-15,17-18H,1,6-7,10-13,16H2
InChIKeyICKRSXUZAZICQG-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.42
Rot. Bonds8

About 1-[3-(oxolan-3-yl)propyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole

1-[3-(oxolan-3-yl)propyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole (PubChem CID 50948796) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-[3-(oxolan-3-yl)propyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole.

Molecular Properties

Compound Name1-[3-(oxolan-3-yl)propyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole
PubChem CID50948796
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-[3-(oxolan-3-yl)propyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole
SMILESC=CCn1cc(-c2c(-c3ccccc3)ncn2CCCC2CCOC2)cn1
InChIInChI=1S/C22H26N4O/c1-2-11-26-15-20(14-24-26)22-21(19-8-4-3-5-9-19)23-17-25(22)12-6-7-18-10-13-27-16-18/h2-5,8-9,14-15,17-18H,1,6-7,10-13,16H2
InChIKeyICKRSXUZAZICQG-UHFFFAOYSA-N
XLogP4.42
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-3-yl)propyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole?
The IUPAC name of 1-[3-(oxolan-3-yl)propyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole (CID 50948796) is 1-[3-(oxolan-3-yl)propyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole.
What is the SMILES notation for 1-[3-(oxolan-3-yl)propyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole?
The canonical SMILES for 1-[3-(oxolan-3-yl)propyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole is C=CCn1cc(-c2c(-c3ccccc3)ncn2CCCC2CCOC2)cn1.
What is the InChIKey of 1-[3-(oxolan-3-yl)propyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole?
The InChIKey is ICKRSXUZAZICQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-2-11-26-15-20(14-24-26)22-21(19-8-4-3-5-9-19)23-17-25(22)12-6-7-18-10-13-27-16-18/h2-5,8-9,14-15,17-18H,1,6-7,10-13,16H2.
What are the key properties of 1-[3-(oxolan-3-yl)propyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole?
1-[3-(oxolan-3-yl)propyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole has a molecular weight of 362.48 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-3-yl)propyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole is sourced from PubChem (CID 50948796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).