2-methyl-1-(phenylmethoxymethyl)-5-phenylselanyl-4-propan-2-ylimidazole

C21H24N2OSe — CID 19002944

IUPAC2-methyl-1-(phenylmethoxymethyl)-5-phenylselanyl-4-propan-2-ylimidazole
SMILESCc1nc(C(C)C)c([Se]c2ccccc2)n1COCc1ccccc1
InChIInChI=1S/C21H24N2OSe/c1-16(2)20-21(25-19-12-8-5-9-13-19)23(17(3)22-20)15-24-14-18-10-6-4-7-11-18/h4-13,16H,14-15H2,1-3H3
InChIKeyVUMLFOHVNXWHDN-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.14
Rot. Bonds7

About 2-methyl-1-(phenylmethoxymethyl)-5-phenylselanyl-4-propan-2-ylimidazole

2-methyl-1-(phenylmethoxymethyl)-5-phenylselanyl-4-propan-2-ylimidazole (PubChem CID 19002944) has the molecular formula C21H24N2OSe and a molecular weight of 399.40 g/mol. Its IUPAC name is 2-methyl-1-(phenylmethoxymethyl)-5-phenylselanyl-4-propan-2-ylimidazole.

Molecular Properties

Compound Name2-methyl-1-(phenylmethoxymethyl)-5-phenylselanyl-4-propan-2-ylimidazole
PubChem CID19002944
Molecular FormulaC21H24N2OSe
Molecular Weight399.40 g/mol
Exact Mass400.11
IUPAC Name2-methyl-1-(phenylmethoxymethyl)-5-phenylselanyl-4-propan-2-ylimidazole
SMILESCc1nc(C(C)C)c([Se]c2ccccc2)n1COCc1ccccc1
InChIInChI=1S/C21H24N2OSe/c1-16(2)20-21(25-19-12-8-5-9-13-19)23(17(3)22-20)15-24-14-18-10-6-4-7-11-18/h4-13,16H,14-15H2,1-3H3
InChIKeyVUMLFOHVNXWHDN-UHFFFAOYSA-N
XLogP3.14
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-1-(phenylmethoxymethyl)-5-phenylselanyl-4-propan-2-ylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(phenylmethoxymethyl)-5-phenylselanyl-4-propan-2-ylimidazole?
The IUPAC name of 2-methyl-1-(phenylmethoxymethyl)-5-phenylselanyl-4-propan-2-ylimidazole (CID 19002944) is 2-methyl-1-(phenylmethoxymethyl)-5-phenylselanyl-4-propan-2-ylimidazole.
What is the SMILES notation for 2-methyl-1-(phenylmethoxymethyl)-5-phenylselanyl-4-propan-2-ylimidazole?
The canonical SMILES for 2-methyl-1-(phenylmethoxymethyl)-5-phenylselanyl-4-propan-2-ylimidazole is Cc1nc(C(C)C)c([Se]c2ccccc2)n1COCc1ccccc1.
What is the InChIKey of 2-methyl-1-(phenylmethoxymethyl)-5-phenylselanyl-4-propan-2-ylimidazole?
The InChIKey is VUMLFOHVNXWHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OSe/c1-16(2)20-21(25-19-12-8-5-9-13-19)23(17(3)22-20)15-24-14-18-10-6-4-7-11-18/h4-13,16H,14-15H2,1-3H3.
What are the key properties of 2-methyl-1-(phenylmethoxymethyl)-5-phenylselanyl-4-propan-2-ylimidazole?
2-methyl-1-(phenylmethoxymethyl)-5-phenylselanyl-4-propan-2-ylimidazole has a molecular weight of 399.40 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(phenylmethoxymethyl)-5-phenylselanyl-4-propan-2-ylimidazole is sourced from PubChem (CID 19002944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).