6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole

C20H20Cl2N4 — CID 23276808

IUPAC6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
SMILESClc1ccc2nc(CCCCCCc3nc4ccc(Cl)cc4[nH]3)[nH]c2c1
InChIInChI=1S/C20H20Cl2N4/c21-13-7-9-15-17(11-13)25-19(23-15)5-3-1-2-4-6-20-24-16-10-8-14(22)12-18(16)26-20/h7-12H,1-6H2,(H,23,25)(H,24,26)
InChIKeySQLMQVDOZRANJZ-UHFFFAOYSA-N
MW387.31 g/mol
LogP6.09
Rot. Bonds7

About 6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole

6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole (PubChem CID 23276808) has the molecular formula C20H20Cl2N4 and a molecular weight of 387.31 g/mol. Its IUPAC name is 6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
PubChem CID23276808
Molecular FormulaC20H20Cl2N4
Molecular Weight387.31 g/mol
Exact Mass386.11
IUPAC Name6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
SMILESClc1ccc2nc(CCCCCCc3nc4ccc(Cl)cc4[nH]3)[nH]c2c1
InChIInChI=1S/C20H20Cl2N4/c21-13-7-9-15-17(11-13)25-19(23-15)5-3-1-2-4-6-20-24-16-10-8-14(22)12-18(16)26-20/h7-12H,1-6H2,(H,23,25)(H,24,26)
InChIKeySQLMQVDOZRANJZ-UHFFFAOYSA-N
XLogP6.09
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.31
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole (CID 23276808) is 6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole is Clc1ccc2nc(CCCCCCc3nc4ccc(Cl)cc4[nH]3)[nH]c2c1.
What is the InChIKey of 6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole?
The InChIKey is SQLMQVDOZRANJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4/c21-13-7-9-15-17(11-13)25-19(23-15)5-3-1-2-4-6-20-24-16-10-8-14(22)12-18(16)26-20/h7-12H,1-6H2,(H,23,25)(H,24,26).
What are the key properties of 6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole?
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole has a molecular weight of 387.31 g/mol, XLogP of 6.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole is sourced from PubChem (CID 23276808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).