6-bromo-2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole

C14H15BrClFN2O — CID 116739367

IUPAC6-bromo-2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole
SMILESCC(Cl)c1nc2cc(F)c(Br)cc2n1C1(C)CCOC1
InChIInChI=1S/C14H15BrClFN2O/c1-8(16)13-18-11-6-10(17)9(15)5-12(11)19(13)14(2)3-4-20-7-14/h5-6,8H,3-4,7H2,1-2H3
InChIKeyDIIXKJIPXATLIS-UHFFFAOYSA-N
MW361.64 g/mol
LogP4.37
Rot. Bonds2

About 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole

6-bromo-2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole (PubChem CID 116739367) has the molecular formula C14H15BrClFN2O and a molecular weight of 361.64 g/mol. Its IUPAC name is 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole
PubChem CID116739367
Molecular FormulaC14H15BrClFN2O
Molecular Weight361.64 g/mol
Exact Mass360.00
IUPAC Name6-bromo-2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole
SMILESCC(Cl)c1nc2cc(F)c(Br)cc2n1C1(C)CCOC1
InChIInChI=1S/C14H15BrClFN2O/c1-8(16)13-18-11-6-10(17)9(15)5-12(11)19(13)14(2)3-4-20-7-14/h5-6,8H,3-4,7H2,1-2H3
InChIKeyDIIXKJIPXATLIS-UHFFFAOYSA-N
XLogP4.37
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.64
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole
CID 113482198
6-bromo-2-(1-chloroethyl)-5-fluoro-1-propan-2-ylbenzimidazole
CID 116738566
6-bromo-2-(1-chloroethyl)-5-fluoro-1-propylbenzimidazole
CID 116738618
6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole
CID 116739074
5-bromo-2-(1-chloroethyl)-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazole
CID 66087140
6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methoxyethyl)benzimidazole
CID 116738639
6-bromo-2-(1-chloroethyl)-5-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole
CID 107414410
2-(1-chloroethyl)-5-fluoro-6-methyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole
CID 106216892
5-bromo-2-(1-chloroethyl)-6-fluoro-1-pentan-2-ylbenzimidazole
CID 66086519
5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole
CID 66088892
2-(1-chloroethyl)-5-iodo-1-(1-methylcyclohexyl)benzimidazole
CID 66081652
6-bromo-2-(1-chloroethyl)-5-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole
CID 116738845

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole?
The IUPAC name of 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole (CID 116739367) is 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole.
What is the SMILES notation for 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole?
The canonical SMILES for 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole is CC(Cl)c1nc2cc(F)c(Br)cc2n1C1(C)CCOC1.
What is the InChIKey of 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole?
The InChIKey is DIIXKJIPXATLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClFN2O/c1-8(16)13-18-11-6-10(17)9(15)5-12(11)19(13)14(2)3-4-20-7-14/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole?
6-bromo-2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole has a molecular weight of 361.64 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole is sourced from PubChem (CID 116739367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).