4-[1-[4-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]butyl]benzimidazol-2-yl]-1,3-thiazole

C24H20N6S2 — CID 132537428

IUPAC4-[1-[4-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]butyl]benzimidazol-2-yl]-1,3-thiazole
SMILESc1ccc2c(c1)nc(-c1cscn1)n2CCCCn1c(-c2cscn2)nc2ccccc21
InChIInChI=1S/C24H20N6S2/c1-3-9-21-17(7-1)27-23(19-13-31-15-25-19)29(21)11-5-6-12-30-22-10-4-2-8-18(22)28-24(30)20-14-32-16-26-20/h1-4,7-10,13-16H,5-6,11-12H2
InChIKeyCCSKQSYHDVICEH-UHFFFAOYSA-N
MW456.60 g/mol
LogP6.11
Rot. Bonds7

About 4-[1-[4-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]butyl]benzimidazol-2-yl]-1,3-thiazole

4-[1-[4-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]butyl]benzimidazol-2-yl]-1,3-thiazole (PubChem CID 132537428) has the molecular formula C24H20N6S2 and a molecular weight of 456.60 g/mol. Its IUPAC name is 4-[1-[4-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]butyl]benzimidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[1-[4-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]butyl]benzimidazol-2-yl]-1,3-thiazole
PubChem CID132537428
Molecular FormulaC24H20N6S2
Molecular Weight456.60 g/mol
Exact Mass456.12
IUPAC Name4-[1-[4-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]butyl]benzimidazol-2-yl]-1,3-thiazole
SMILESc1ccc2c(c1)nc(-c1cscn1)n2CCCCn1c(-c2cscn2)nc2ccccc21
InChIInChI=1S/C24H20N6S2/c1-3-9-21-17(7-1)27-23(19-13-31-15-25-19)29(21)11-5-6-12-30-22-10-4-2-8-18(22)28-24(30)20-14-32-16-26-20/h1-4,7-10,13-16H,5-6,11-12H2
InChIKeyCCSKQSYHDVICEH-UHFFFAOYSA-N
XLogP6.11
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.60
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]butyl]benzimidazol-2-yl]-1,3-thiazole?
The IUPAC name of 4-[1-[4-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]butyl]benzimidazol-2-yl]-1,3-thiazole (CID 132537428) is 4-[1-[4-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]butyl]benzimidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-[1-[4-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]butyl]benzimidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[1-[4-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]butyl]benzimidazol-2-yl]-1,3-thiazole is c1ccc2c(c1)nc(-c1cscn1)n2CCCCn1c(-c2cscn2)nc2ccccc21.
What is the InChIKey of 4-[1-[4-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]butyl]benzimidazol-2-yl]-1,3-thiazole?
The InChIKey is CCSKQSYHDVICEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6S2/c1-3-9-21-17(7-1)27-23(19-13-31-15-25-19)29(21)11-5-6-12-30-22-10-4-2-8-18(22)28-24(30)20-14-32-16-26-20/h1-4,7-10,13-16H,5-6,11-12H2.
What are the key properties of 4-[1-[4-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]butyl]benzimidazol-2-yl]-1,3-thiazole?
4-[1-[4-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]butyl]benzimidazol-2-yl]-1,3-thiazole has a molecular weight of 456.60 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]butyl]benzimidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 132537428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).