5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole

C11H11BrClFN2 — CID 79631505

IUPAC5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole
SMILESFc1cc2[nH]c(CCCCCl)nc2cc1Br
InChIInChI=1S/C11H11BrClFN2/c12-7-5-9-10(6-8(7)14)16-11(15-9)3-1-2-4-13/h5-6H,1-4H2,(H,15,16)
InChIKeyGYNHQMZJPMRTOD-UHFFFAOYSA-N
MW305.58 g/mol
LogP4.03
Rot. Bonds4

About 5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole

5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole (PubChem CID 79631505) has the molecular formula C11H11BrClFN2 and a molecular weight of 305.58 g/mol. Its IUPAC name is 5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole
PubChem CID79631505
Molecular FormulaC11H11BrClFN2
Molecular Weight305.58 g/mol
Exact Mass303.98
IUPAC Name5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole
SMILESFc1cc2[nH]c(CCCCCl)nc2cc1Br
InChIInChI=1S/C11H11BrClFN2/c12-7-5-9-10(6-8(7)14)16-11(15-9)3-1-2-4-13/h5-6H,1-4H2,(H,15,16)
InChIKeyGYNHQMZJPMRTOD-UHFFFAOYSA-N
XLogP4.03
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.58
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole?
The IUPAC name of 5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole (CID 79631505) is 5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole?
The canonical SMILES for 5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole is Fc1cc2[nH]c(CCCCCl)nc2cc1Br.
What is the InChIKey of 5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole?
The InChIKey is GYNHQMZJPMRTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClFN2/c12-7-5-9-10(6-8(7)14)16-11(15-9)3-1-2-4-13/h5-6H,1-4H2,(H,15,16).
What are the key properties of 5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole?
5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole has a molecular weight of 305.58 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 79631505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).