6-bromo-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole

C16H19BrClFN2 — CID 116739217

IUPAC6-bromo-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole
SMILESCC1(C)CCCC1n1c(CCCl)nc2cc(F)c(Br)cc21
InChIInChI=1S/C16H19BrClFN2/c1-16(2)6-3-4-14(16)21-13-8-10(17)11(19)9-12(13)20-15(21)5-7-18/h8-9,14H,3-7H2,1-2H3
InChIKeyOLHAHHXKXHGNDD-UHFFFAOYSA-N
MW373.70 g/mol
LogP5.47
Rot. Bonds3

About 6-bromo-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole

6-bromo-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole (PubChem CID 116739217) has the molecular formula C16H19BrClFN2 and a molecular weight of 373.70 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole
PubChem CID116739217
Molecular FormulaC16H19BrClFN2
Molecular Weight373.70 g/mol
Exact Mass372.04
IUPAC Name6-bromo-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole
SMILESCC1(C)CCCC1n1c(CCCl)nc2cc(F)c(Br)cc21
InChIInChI=1S/C16H19BrClFN2/c1-16(2)6-3-4-14(16)21-13-8-10(17)11(19)9-12(13)20-15(21)5-7-18/h8-9,14H,3-7H2,1-2H3
InChIKeyOLHAHHXKXHGNDD-UHFFFAOYSA-N
XLogP5.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.70
LogP ≤ 55.47
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

2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-6-fluorobenzimidazole
CID 79870114
2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-4,6-difluorobenzimidazole
CID 115509629
2-(chloromethyl)-1-(2,2-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazole
CID 79870633
2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole
CID 79871475
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(1-methylcyclohexyl)benzimidazole
CID 66086743
2-(2-chloroethyl)-1-(2,2-dimethylcyclohexyl)imidazo[4,5-c]pyridine
CID 79871479
2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)-5-methylimidazo[4,5-b]pyridine
CID 81135772
4-chloro-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole
CID 104838457
2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine
CID 79870709
5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole
CID 66088505
6-bromo-2-(2-chloroethyl)-1-(1-cyclopropylbutan-2-yl)-5-fluorobenzimidazole
CID 116739125
6-bromo-2-(2-chloroethyl)-5-fluoro-1-pentan-3-ylbenzimidazole
CID 116738614

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole (CID 116739217) is 6-bromo-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole is CC1(C)CCCC1n1c(CCCl)nc2cc(F)c(Br)cc21.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole?
The InChIKey is OLHAHHXKXHGNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClFN2/c1-16(2)6-3-4-14(16)21-13-8-10(17)11(19)9-12(13)20-15(21)5-7-18/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 6-bromo-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole?
6-bromo-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole has a molecular weight of 373.70 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole is sourced from PubChem (CID 116739217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).