6-(4-methoxyphenyl)-2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole

C20H17N5OS — CID 122191302

IUPAC6-(4-methoxyphenyl)-2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2nc3sc(C)nn3c2-c2nc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C20H17N5OS/c1-11-4-9-15-16(10-11)22-19(21-15)18-17(13-5-7-14(26-3)8-6-13)23-20-25(18)24-12(2)27-20/h4-10H,1-3H3,(H,21,22)
InChIKeyMFZNPDMTEHWVFG-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.63
Rot. Bonds3

About 6-(4-methoxyphenyl)-2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole

6-(4-methoxyphenyl)-2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 122191302) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID122191302
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name6-(4-methoxyphenyl)-2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2nc3sc(C)nn3c2-c2nc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C20H17N5OS/c1-11-4-9-15-16(10-11)22-19(21-15)18-17(13-5-7-14(26-3)8-6-13)23-20-25(18)24-12(2)27-20/h4-10H,1-3H3,(H,21,22)
InChIKeyMFZNPDMTEHWVFG-UHFFFAOYSA-N
XLogP4.63
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-methoxyphenyl)-2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 122191302) is 6-(4-methoxyphenyl)-2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-methoxyphenyl)-2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is COc1ccc(-c2nc3sc(C)nn3c2-c2nc3ccc(C)cc3[nH]2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is MFZNPDMTEHWVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-11-4-9-15-16(10-11)22-19(21-15)18-17(13-5-7-14(26-3)8-6-13)23-20-25(18)24-12(2)27-20/h4-10H,1-3H3,(H,21,22).
What are the key properties of 6-(4-methoxyphenyl)-2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
6-(4-methoxyphenyl)-2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 375.46 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 122191302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).