5-bromo-2-(chloromethyl)-6-fluoro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole

C12H8BrClF4N2 — CID 106216982

IUPAC5-bromo-2-(chloromethyl)-6-fluoro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole
SMILESFc1cc2c(cc1Br)nc(CCl)n2C1(C(F)(F)F)CC1
InChIInChI=1S/C12H8BrClF4N2/c13-6-3-8-9(4-7(6)15)20(10(5-14)19-8)11(1-2-11)12(16,17)18/h3-4H,1-2,5H2
InChIKeyUTPFSRQKMQKRPW-UHFFFAOYSA-N
MW371.56 g/mol
LogP4.73
Rot. Bonds2

About 5-bromo-2-(chloromethyl)-6-fluoro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole

5-bromo-2-(chloromethyl)-6-fluoro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole (PubChem CID 106216982) has the molecular formula C12H8BrClF4N2 and a molecular weight of 371.56 g/mol. Its IUPAC name is 5-bromo-2-(chloromethyl)-6-fluoro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(chloromethyl)-6-fluoro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole
PubChem CID106216982
Molecular FormulaC12H8BrClF4N2
Molecular Weight371.56 g/mol
Exact Mass369.95
IUPAC Name5-bromo-2-(chloromethyl)-6-fluoro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole
SMILESFc1cc2c(cc1Br)nc(CCl)n2C1(C(F)(F)F)CC1
InChIInChI=1S/C12H8BrClF4N2/c13-6-3-8-9(4-7(6)15)20(10(5-14)19-8)11(1-2-11)12(16,17)18/h3-4H,1-2,5H2
InChIKeyUTPFSRQKMQKRPW-UHFFFAOYSA-N
XLogP4.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.56
LogP ≤ 54.73
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

6-chloro-2-(chloromethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole
CID 106216922
5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole
CID 66087529
5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole
CID 66088261
5-bromo-2-(chloromethyl)-1-(3-ethylpentan-3-yl)-6-fluorobenzimidazole
CID 66088103
2-(2-chloroethyl)-5-iodo-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole
CID 106216879
5-bromo-2-(chloromethyl)-1-(cyclobutylmethyl)-6-fluorobenzimidazole
CID 66088881
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(1-methylcyclohexyl)benzimidazole
CID 66086743
5-bromo-2-(chloromethyl)-6-fluoro-1-(3-methylpentan-3-yl)benzimidazole
CID 106330234
5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
CID 66085949
6-chloro-2-(chloromethyl)-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine
CID 114159541
4-[2-[5-bromo-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]ethyl]thiomorpholine
CID 106326521
5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 66085948

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(chloromethyl)-6-fluoro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole?
The IUPAC name of 5-bromo-2-(chloromethyl)-6-fluoro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole (CID 106216982) is 5-bromo-2-(chloromethyl)-6-fluoro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole.
What is the SMILES notation for 5-bromo-2-(chloromethyl)-6-fluoro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole?
The canonical SMILES for 5-bromo-2-(chloromethyl)-6-fluoro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole is Fc1cc2c(cc1Br)nc(CCl)n2C1(C(F)(F)F)CC1.
What is the InChIKey of 5-bromo-2-(chloromethyl)-6-fluoro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole?
The InChIKey is UTPFSRQKMQKRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF4N2/c13-6-3-8-9(4-7(6)15)20(10(5-14)19-8)11(1-2-11)12(16,17)18/h3-4H,1-2,5H2.
What are the key properties of 5-bromo-2-(chloromethyl)-6-fluoro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole?
5-bromo-2-(chloromethyl)-6-fluoro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole has a molecular weight of 371.56 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(chloromethyl)-6-fluoro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole is sourced from PubChem (CID 106216982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).