4-[1-[6-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexyl]benzimidazol-2-yl]-1,3-thiazole

C26H24N6S2 — CID 132517420

IUPAC4-[1-[6-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexyl]benzimidazol-2-yl]-1,3-thiazole
SMILESc1ccc2c(c1)nc(-c1cscn1)n2CCCCCCn1c(-c2cscn2)nc2ccccc21
InChIInChI=1S/C26H24N6S2/c1(7-13-31-23-11-5-3-9-19(23)29-25(31)21-15-33-17-27-21)2-8-14-32-24-12-6-4-10-20(24)30-26(32)22-16-34-18-28-22/h3-6,9-12,15-18H,1-2,7-8,13-14H2
InChIKeyCTFHQXIMXDWCRW-UHFFFAOYSA-N
MW484.65 g/mol
LogP6.89
Rot. Bonds9

About 4-[1-[6-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexyl]benzimidazol-2-yl]-1,3-thiazole

4-[1-[6-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexyl]benzimidazol-2-yl]-1,3-thiazole (PubChem CID 132517420) has the molecular formula C26H24N6S2 and a molecular weight of 484.65 g/mol. Its IUPAC name is 4-[1-[6-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexyl]benzimidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[1-[6-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexyl]benzimidazol-2-yl]-1,3-thiazole
PubChem CID132517420
Molecular FormulaC26H24N6S2
Molecular Weight484.65 g/mol
Exact Mass484.15
IUPAC Name4-[1-[6-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexyl]benzimidazol-2-yl]-1,3-thiazole
SMILESc1ccc2c(c1)nc(-c1cscn1)n2CCCCCCn1c(-c2cscn2)nc2ccccc21
InChIInChI=1S/C26H24N6S2/c1(7-13-31-23-11-5-3-9-19(23)29-25(31)21-15-33-17-27-21)2-8-14-32-24-12-6-4-10-20(24)30-26(32)22-16-34-18-28-22/h3-6,9-12,15-18H,1-2,7-8,13-14H2
InChIKeyCTFHQXIMXDWCRW-UHFFFAOYSA-N
XLogP6.89
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.65
LogP ≤ 56.89
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-[6-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexyl]benzimidazol-2-yl]-1,3-thiazole?
The IUPAC name of 4-[1-[6-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexyl]benzimidazol-2-yl]-1,3-thiazole (CID 132517420) is 4-[1-[6-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexyl]benzimidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-[1-[6-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexyl]benzimidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[1-[6-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexyl]benzimidazol-2-yl]-1,3-thiazole is c1ccc2c(c1)nc(-c1cscn1)n2CCCCCCn1c(-c2cscn2)nc2ccccc21.
What is the InChIKey of 4-[1-[6-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexyl]benzimidazol-2-yl]-1,3-thiazole?
The InChIKey is CTFHQXIMXDWCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6S2/c1(7-13-31-23-11-5-3-9-19(23)29-25(31)21-15-33-17-27-21)2-8-14-32-24-12-6-4-10-20(24)30-26(32)22-16-34-18-28-22/h3-6,9-12,15-18H,1-2,7-8,13-14H2.
What are the key properties of 4-[1-[6-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexyl]benzimidazol-2-yl]-1,3-thiazole?
4-[1-[6-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexyl]benzimidazol-2-yl]-1,3-thiazole has a molecular weight of 484.65 g/mol, XLogP of 6.89, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexyl]benzimidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 132517420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).