6-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole

C24H16N4S — CID 70864425

IUPAC6-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole
SMILESc1ccc(-c2cccc(-c3nc4ccc(-c5cn6ccsc6n5)cc4[nH]3)c2)cc1
InChIInChI=1S/C24H16N4S/c1-2-5-16(6-3-1)17-7-4-8-19(13-17)23-25-20-10-9-18(14-21(20)26-23)22-15-28-11-12-29-24(28)27-22/h1-15H,(H,25,26)
InChIKeyGEKVUNJMQOLVQZ-UHFFFAOYSA-N
MW392.49 g/mol
LogP6.27
Rot. Bonds3

About 6-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole

6-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole (PubChem CID 70864425) has the molecular formula C24H16N4S and a molecular weight of 392.49 g/mol. Its IUPAC name is 6-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole
PubChem CID70864425
Molecular FormulaC24H16N4S
Molecular Weight392.49 g/mol
Exact Mass392.11
IUPAC Name6-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole
SMILESc1ccc(-c2cccc(-c3nc4ccc(-c5cn6ccsc6n5)cc4[nH]3)c2)cc1
InChIInChI=1S/C24H16N4S/c1-2-5-16(6-3-1)17-7-4-8-19(13-17)23-25-20-10-9-18(14-21(20)26-23)22-15-28-11-12-29-24(28)27-22/h1-15H,(H,25,26)
InChIKeyGEKVUNJMQOLVQZ-UHFFFAOYSA-N
XLogP6.27
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.49
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole (CID 70864425) is 6-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole is c1ccc(-c2cccc(-c3nc4ccc(-c5cn6ccsc6n5)cc4[nH]3)c2)cc1.
What is the InChIKey of 6-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is GEKVUNJMQOLVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4S/c1-2-5-16(6-3-1)17-7-4-8-19(13-17)23-25-20-10-9-18(14-21(20)26-23)22-15-28-11-12-29-24(28)27-22/h1-15H,(H,25,26).
What are the key properties of 6-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole?
6-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 392.49 g/mol, XLogP of 6.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 70864425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).