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

C16H20ClFN2 — CID 79870114

IUPAC2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-6-fluorobenzimidazole
SMILESCC1(C)CCCC1n1c(CCCl)nc2ccc(F)cc21
InChIInChI=1S/C16H20ClFN2/c1-16(2)8-3-4-14(16)20-13-10-11(18)5-6-12(13)19-15(20)7-9-17/h5-6,10,14H,3-4,7-9H2,1-2H3
InChIKeyZQDVDWJOTAOVQV-UHFFFAOYSA-N
MW294.80 g/mol
LogP4.71
Rot. Bonds3

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

2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-6-fluorobenzimidazole (PubChem CID 79870114) has the molecular formula C16H20ClFN2 and a molecular weight of 294.80 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-6-fluorobenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-6-fluorobenzimidazole
PubChem CID79870114
Molecular FormulaC16H20ClFN2
Molecular Weight294.80 g/mol
Exact Mass294.13
IUPAC Name2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-6-fluorobenzimidazole
SMILESCC1(C)CCCC1n1c(CCCl)nc2ccc(F)cc21
InChIInChI=1S/C16H20ClFN2/c1-16(2)8-3-4-14(16)20-13-10-11(18)5-6-12(13)19-15(20)7-9-17/h5-6,10,14H,3-4,7-9H2,1-2H3
InChIKeyZQDVDWJOTAOVQV-UHFFFAOYSA-N
XLogP4.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.80
LogP ≤ 54.71
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-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole
CID 79871475
6-bromo-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole
CID 116739217
2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-4,6-difluorobenzimidazole
CID 115509629
2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)-5-methylimidazo[4,5-b]pyridine
CID 81135772
2-(2-chloroethyl)-1-(2,2-dimethylcyclohexyl)imidazo[4,5-c]pyridine
CID 79871479
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
2-(chloromethyl)-1-(2,2-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazole
CID 79870633
2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole
CID 62377893
2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole
CID 62414806
2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole
CID 62376179
2-(2-chloroethyl)-5-fluoro-1-(1-methylcyclobutyl)benzimidazole
CID 113485698

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-6-fluorobenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-6-fluorobenzimidazole (CID 79870114) is 2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-6-fluorobenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-6-fluorobenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-6-fluorobenzimidazole is CC1(C)CCCC1n1c(CCCl)nc2ccc(F)cc21.
What is the InChIKey of 2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-6-fluorobenzimidazole?
The InChIKey is ZQDVDWJOTAOVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2/c1-16(2)8-3-4-14(16)20-13-10-11(18)5-6-12(13)19-15(20)7-9-17/h5-6,10,14H,3-4,7-9H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-6-fluorobenzimidazole?
2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-6-fluorobenzimidazole has a molecular weight of 294.80 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-6-fluorobenzimidazole is sourced from PubChem (CID 79870114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).