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

C25H18N4S — CID 132606163

IUPAC5-(6-methyl-1H-benzimidazol-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole
SMILESCc1ccc2nc(-c3c(-c4ccc(-c5ccccc5)cc4)nc4sccn34)[nH]c2c1
InChIInChI=1S/C25H18N4S/c1-16-7-12-20-21(15-16)27-24(26-20)23-22(28-25-29(23)13-14-30-25)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,26,27)
InChIKeyWTQQCBVRBIAFNZ-UHFFFAOYSA-N
MW406.51 g/mol
LogP6.58
Rot. Bonds3

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

5-(6-methyl-1H-benzimidazol-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 132606163) has the molecular formula C25H18N4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 5-(6-methyl-1H-benzimidazol-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(6-methyl-1H-benzimidazol-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID132606163
Molecular FormulaC25H18N4S
Molecular Weight406.51 g/mol
Exact Mass406.13
IUPAC Name5-(6-methyl-1H-benzimidazol-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole
SMILESCc1ccc2nc(-c3c(-c4ccc(-c5ccccc5)cc4)nc4sccn34)[nH]c2c1
InChIInChI=1S/C25H18N4S/c1-16-7-12-20-21(15-16)27-24(26-20)23-22(28-25-29(23)13-14-30-25)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,26,27)
InChIKeyWTQQCBVRBIAFNZ-UHFFFAOYSA-N
XLogP6.58
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(6-methyl-1H-benzimidazol-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole with MolForge

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Related Compounds

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 56873471
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
ethane;5-methyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 144628970
6-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole
CID 70864425
5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole
CID 139191662
6-(4-methylphenyl)-5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 132581539
5-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 118734539
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 146021559
2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide
CID 135988800
5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol
CID 135988793

Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-1H-benzimidazol-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(6-methyl-1H-benzimidazol-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole (CID 132606163) is 5-(6-methyl-1H-benzimidazol-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(6-methyl-1H-benzimidazol-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(6-methyl-1H-benzimidazol-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole is Cc1ccc2nc(-c3c(-c4ccc(-c5ccccc5)cc4)nc4sccn34)[nH]c2c1.
What is the InChIKey of 5-(6-methyl-1H-benzimidazol-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is WTQQCBVRBIAFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4S/c1-16-7-12-20-21(15-16)27-24(26-20)23-22(28-25-29(23)13-14-30-25)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,26,27).
What are the key properties of 5-(6-methyl-1H-benzimidazol-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole?
5-(6-methyl-1H-benzimidazol-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 406.51 g/mol, XLogP of 6.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-1H-benzimidazol-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 132606163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).