5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole

C14H15BrClFN2 — CID 66088892

IUPAC5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole
SMILESCC(Cl)c1nc2cc(Br)c(F)cc2n1C(C)C1CC1
InChIInChI=1S/C14H15BrClFN2/c1-7(16)14-18-12-5-10(15)11(17)6-13(12)19(14)8(2)9-3-4-9/h5-9H,3-4H2,1-2H3
InChIKeySGQVRDGRASWZIL-UHFFFAOYSA-N
MW345.64 g/mol
LogP5.21
Rot. Bonds3

About 5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole

5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole (PubChem CID 66088892) has the molecular formula C14H15BrClFN2 and a molecular weight of 345.64 g/mol. Its IUPAC name is 5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole.

Molecular Properties

Compound Name5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole
PubChem CID66088892
Molecular FormulaC14H15BrClFN2
Molecular Weight345.64 g/mol
Exact Mass344.01
IUPAC Name5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole
SMILESCC(Cl)c1nc2cc(Br)c(F)cc2n1C(C)C1CC1
InChIInChI=1S/C14H15BrClFN2/c1-7(16)14-18-12-5-10(15)11(17)6-13(12)19(14)8(2)9-3-4-9/h5-9H,3-4H2,1-2H3
InChIKeySGQVRDGRASWZIL-UHFFFAOYSA-N
XLogP5.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.64
LogP ≤ 55.21
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-cyclopentylethyl)-6-fluorobenzimidazole
CID 66087724
2-(1-chloroethyl)-1-(1-cyclopentylethyl)-5-fluoro-6-methylbenzimidazole
CID 103593761
6-bromo-2-(1-chloroethyl)-5-fluoro-1-propan-2-ylbenzimidazole
CID 116738566
5-bromo-2-(1-chloroethyl)-6-fluoro-1-pentan-2-ylbenzimidazole
CID 66086519
5-bromo-2-(1-chloroethyl)-6-fluoro-1-(4-methylcyclohexyl)benzimidazole
CID 66088073
6-bromo-2-(chloromethyl)-1-(1-cyclobutylethyl)-5-fluorobenzimidazole
CID 116739419
5-bromo-2-(1-chloroethyl)-1-(1-ethoxypropan-2-yl)-6-fluorobenzimidazole
CID 66087122
2-(1-chloroethyl)-1-(1-cyclopropylethyl)-5-(trifluoromethyl)benzimidazole
CID 115502219
6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine
CID 116738302
6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole
CID 116739029
2-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-fluoro-6-methylbenzimidazole
CID 103593534
5-bromo-2-(1-chloroethyl)-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazole
CID 66087140

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole?
The IUPAC name of 5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole (CID 66088892) is 5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole.
What is the SMILES notation for 5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole?
The canonical SMILES for 5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole is CC(Cl)c1nc2cc(Br)c(F)cc2n1C(C)C1CC1.
What is the InChIKey of 5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole?
The InChIKey is SGQVRDGRASWZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClFN2/c1-7(16)14-18-12-5-10(15)11(17)6-13(12)19(14)8(2)9-3-4-9/h5-9H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole?
5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole has a molecular weight of 345.64 g/mol, XLogP of 5.21, 3 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-(1-cyclopropylethyl)-6-fluorobenzimidazole is sourced from PubChem (CID 66088892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).