6-bromo-2-(1-chloroethyl)-5-fluoro-1-propan-2-ylbenzimidazole

C12H13BrClFN2 — CID 116738566

IUPAC6-bromo-2-(1-chloroethyl)-5-fluoro-1-propan-2-ylbenzimidazole
SMILESCC(Cl)c1nc2cc(F)c(Br)cc2n1C(C)C
InChIInChI=1S/C12H13BrClFN2/c1-6(2)17-11-4-8(13)9(15)5-10(11)16-12(17)7(3)14/h4-7H,1-3H3
InChIKeyRSFRQTFJXJSHJR-UHFFFAOYSA-N
MW319.61 g/mol
LogP4.82
Rot. Bonds2

About 6-bromo-2-(1-chloroethyl)-5-fluoro-1-propan-2-ylbenzimidazole

6-bromo-2-(1-chloroethyl)-5-fluoro-1-propan-2-ylbenzimidazole (PubChem CID 116738566) has the molecular formula C12H13BrClFN2 and a molecular weight of 319.61 g/mol. Its IUPAC name is 6-bromo-2-(1-chloroethyl)-5-fluoro-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name6-bromo-2-(1-chloroethyl)-5-fluoro-1-propan-2-ylbenzimidazole
PubChem CID116738566
Molecular FormulaC12H13BrClFN2
Molecular Weight319.61 g/mol
Exact Mass317.99
IUPAC Name6-bromo-2-(1-chloroethyl)-5-fluoro-1-propan-2-ylbenzimidazole
SMILESCC(Cl)c1nc2cc(F)c(Br)cc2n1C(C)C
InChIInChI=1S/C12H13BrClFN2/c1-6(2)17-11-4-8(13)9(15)5-10(11)16-12(17)7(3)14/h4-7H,1-3H3
InChIKeyRSFRQTFJXJSHJR-UHFFFAOYSA-N
XLogP4.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.61
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole
CID 66088892
5-bromo-2-(1-chloroethyl)-6-fluoro-1-pentan-2-ylbenzimidazole
CID 66086519
6-bromo-2-(1-chloroethyl)-5-fluoro-1-propylbenzimidazole
CID 116738618
5-bromo-2-(1-chloroethyl)-1-(1-cyclopentylethyl)-6-fluorobenzimidazole
CID 66087724
5-bromo-2-(1-chloroethyl)-1-(1-ethoxypropan-2-yl)-6-fluorobenzimidazole
CID 66087122
5-bromo-2-(1-chloroethyl)-1-propan-2-ylbenzimidazole
CID 43666134
6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methoxyethyl)benzimidazole
CID 116738639
5-chloro-2-[(1S)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93258606
6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole
CID 116739074
5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole
CID 66088261
6-bromo-2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole
CID 116739367
6-bromo-2-(1-chloroethyl)-5-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole
CID 107414410

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-chloroethyl)-5-fluoro-1-propan-2-ylbenzimidazole?
The IUPAC name of 6-bromo-2-(1-chloroethyl)-5-fluoro-1-propan-2-ylbenzimidazole (CID 116738566) is 6-bromo-2-(1-chloroethyl)-5-fluoro-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 6-bromo-2-(1-chloroethyl)-5-fluoro-1-propan-2-ylbenzimidazole?
The canonical SMILES for 6-bromo-2-(1-chloroethyl)-5-fluoro-1-propan-2-ylbenzimidazole is CC(Cl)c1nc2cc(F)c(Br)cc2n1C(C)C.
What is the InChIKey of 6-bromo-2-(1-chloroethyl)-5-fluoro-1-propan-2-ylbenzimidazole?
The InChIKey is RSFRQTFJXJSHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClFN2/c1-6(2)17-11-4-8(13)9(15)5-10(11)16-12(17)7(3)14/h4-7H,1-3H3.
What are the key properties of 6-bromo-2-(1-chloroethyl)-5-fluoro-1-propan-2-ylbenzimidazole?
6-bromo-2-(1-chloroethyl)-5-fluoro-1-propan-2-ylbenzimidazole has a molecular weight of 319.61 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-chloroethyl)-5-fluoro-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 116738566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).