5-bromo-2-(1-chloroethyl)-1-(2,2,3,3-tetrafluoropropyl)benzimidazole

C12H10BrClF4N2 — CID 106294994

IUPAC5-bromo-2-(1-chloroethyl)-1-(2,2,3,3-tetrafluoropropyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Br)ccc2n1CC(F)(F)C(F)F
InChIInChI=1S/C12H10BrClF4N2/c1-6(14)10-19-8-4-7(13)2-3-9(8)20(10)5-12(17,18)11(15)16/h2-4,6,11H,5H2,1H3
InChIKeyGQZWFNPRJJUPRZ-UHFFFAOYSA-N
MW373.58 g/mol
LogP5.00
Rot. Bonds4

About 5-bromo-2-(1-chloroethyl)-1-(2,2,3,3-tetrafluoropropyl)benzimidazole

5-bromo-2-(1-chloroethyl)-1-(2,2,3,3-tetrafluoropropyl)benzimidazole (PubChem CID 106294994) has the molecular formula C12H10BrClF4N2 and a molecular weight of 373.58 g/mol. Its IUPAC name is 5-bromo-2-(1-chloroethyl)-1-(2,2,3,3-tetrafluoropropyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(1-chloroethyl)-1-(2,2,3,3-tetrafluoropropyl)benzimidazole
PubChem CID106294994
Molecular FormulaC12H10BrClF4N2
Molecular Weight373.58 g/mol
Exact Mass371.97
IUPAC Name5-bromo-2-(1-chloroethyl)-1-(2,2,3,3-tetrafluoropropyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Br)ccc2n1CC(F)(F)C(F)F
InChIInChI=1S/C12H10BrClF4N2/c1-6(14)10-19-8-4-7(13)2-3-9(8)20(10)5-12(17,18)11(15)16/h2-4,6,11H,5H2,1H3
InChIKeyGQZWFNPRJJUPRZ-UHFFFAOYSA-N
XLogP5.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.58
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloroethyl)-5-methyl-1-(2,2,3,3-tetrafluoropropyl)benzimidazole
CID 106294982
3-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-2,2-dimethylpropanamide
CID 106278745
5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole
CID 63545211
2-(1-chloroethyl)-5-iodo-1-(2,2,2-trifluoroethyl)benzimidazole
CID 66081017
5-bromo-2-(1-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
CID 63544857
2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N-methylacetamide
CID 43667469
2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylethanamine
CID 62640923
5-bromo-2-(1-chloroethyl)-1-propan-2-ylbenzimidazole
CID 43666134
4-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60863620
1-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 65346141
3-[2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 106420206
5-bromo-2-(1-chloroethyl)-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole
CID 106105762

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-chloroethyl)-1-(2,2,3,3-tetrafluoropropyl)benzimidazole?
The IUPAC name of 5-bromo-2-(1-chloroethyl)-1-(2,2,3,3-tetrafluoropropyl)benzimidazole (CID 106294994) is 5-bromo-2-(1-chloroethyl)-1-(2,2,3,3-tetrafluoropropyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(1-chloroethyl)-1-(2,2,3,3-tetrafluoropropyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(1-chloroethyl)-1-(2,2,3,3-tetrafluoropropyl)benzimidazole is CC(Cl)c1nc2cc(Br)ccc2n1CC(F)(F)C(F)F.
What is the InChIKey of 5-bromo-2-(1-chloroethyl)-1-(2,2,3,3-tetrafluoropropyl)benzimidazole?
The InChIKey is GQZWFNPRJJUPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClF4N2/c1-6(14)10-19-8-4-7(13)2-3-9(8)20(10)5-12(17,18)11(15)16/h2-4,6,11H,5H2,1H3.
What are the key properties of 5-bromo-2-(1-chloroethyl)-1-(2,2,3,3-tetrafluoropropyl)benzimidazole?
5-bromo-2-(1-chloroethyl)-1-(2,2,3,3-tetrafluoropropyl)benzimidazole has a molecular weight of 373.58 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-chloroethyl)-1-(2,2,3,3-tetrafluoropropyl)benzimidazole is sourced from PubChem (CID 106294994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).