2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-1,3-thiazole

C20H17N3O2S — CID 13121124

IUPAC2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3nccs3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H17N3O2S/c1-24-15-7-3-13(4-8-15)17-18(14-5-9-16(25-2)10-6-14)23-19(22-17)20-21-11-12-26-20/h3-12H,1-2H3,(H,22,23)
InChIKeyWKAKJYKRKOMILZ-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.88
Rot. Bonds5

About 2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-1,3-thiazole

2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-1,3-thiazole (PubChem CID 13121124) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-1,3-thiazole
PubChem CID13121124
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3nccs3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H17N3O2S/c1-24-15-7-3-13(4-8-15)17-18(14-5-9-16(25-2)10-6-14)23-19(22-17)20-21-11-12-26-20/h3-12H,1-2H3,(H,22,23)
InChIKeyWKAKJYKRKOMILZ-UHFFFAOYSA-N
XLogP4.88
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-1,3-thiazole (CID 13121124) is 2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-1,3-thiazole is COc1ccc(-c2nc(-c3nccs3)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-1,3-thiazole?
The InChIKey is WKAKJYKRKOMILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-24-15-7-3-13(4-8-15)17-18(14-5-9-16(25-2)10-6-14)23-19(22-17)20-21-11-12-26-20/h3-12H,1-2H3,(H,22,23).
What are the key properties of 2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-1,3-thiazole?
2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-1,3-thiazole has a molecular weight of 363.44 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 13121124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).