4-[[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-1,3-thiazole

C20H21N5S — CID 50966723

IUPAC4-[[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCCc1nc(-c2c(-c3ccccc3)ncn2Cc2csc(C)n2)c(C)[nH]1
InChIInChI=1S/C20H21N5S/c1-4-17-22-13(2)18(24-17)20-19(15-8-6-5-7-9-15)21-12-25(20)10-16-11-26-14(3)23-16/h5-9,11-12H,4,10H2,1-3H3,(H,22,24)
InChIKeyZGWQLJHEKAPRDF-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.62
Rot. Bonds5

About 4-[[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-1,3-thiazole

4-[[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 50966723) has the molecular formula C20H21N5S and a molecular weight of 363.49 g/mol. Its IUPAC name is 4-[[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID50966723
Molecular FormulaC20H21N5S
Molecular Weight363.49 g/mol
Exact Mass363.15
IUPAC Name4-[[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCCc1nc(-c2c(-c3ccccc3)ncn2Cc2csc(C)n2)c(C)[nH]1
InChIInChI=1S/C20H21N5S/c1-4-17-22-13(2)18(24-17)20-19(15-8-6-5-7-9-15)21-12-25(20)10-16-11-26-14(3)23-16/h5-9,11-12H,4,10H2,1-3H3,(H,22,24)
InChIKeyZGWQLJHEKAPRDF-UHFFFAOYSA-N
XLogP4.62
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-1,3-thiazole (CID 50966723) is 4-[[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-1,3-thiazole is CCc1nc(-c2c(-c3ccccc3)ncn2Cc2csc(C)n2)c(C)[nH]1.
What is the InChIKey of 4-[[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is ZGWQLJHEKAPRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5S/c1-4-17-22-13(2)18(24-17)20-19(15-8-6-5-7-9-15)21-12-25(20)10-16-11-26-14(3)23-16/h5-9,11-12H,4,10H2,1-3H3,(H,22,24).
What are the key properties of 4-[[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 363.49 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 50966723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).