2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole

C11H12ClFN2 — CID 62377536

IUPAC2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole
SMILESCCn1c(CCCl)nc2ccc(F)cc21
InChIInChI=1S/C11H12ClFN2/c1-2-15-10-7-8(13)3-4-9(10)14-11(15)5-6-12/h3-4,7H,2,5-6H2,1H3
InChIKeyDNNZYAZNXRGKSF-UHFFFAOYSA-N
MW226.68 g/mol
LogP2.98
Rot. Bonds3

About 2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole

2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole (PubChem CID 62377536) has the molecular formula C11H12ClFN2 and a molecular weight of 226.68 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole
PubChem CID62377536
Molecular FormulaC11H12ClFN2
Molecular Weight226.68 g/mol
Exact Mass226.07
IUPAC Name2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole
SMILESCCn1c(CCCl)nc2ccc(F)cc21
InChIInChI=1S/C11H12ClFN2/c1-2-15-10-7-8(13)3-4-9(10)14-11(15)5-6-12/h3-4,7H,2,5-6H2,1H3
InChIKeyDNNZYAZNXRGKSF-UHFFFAOYSA-N
XLogP2.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 52.98
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)-6-fluoro-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole
CID 62377393
2-(2-chloroethyl)-3-ethylbenzimidazole-5-carbonitrile
CID 104715267
2-(2-chloroethyl)-6-fluoro-1-[(3-methylphenyl)methyl]benzimidazole
CID 62376867
2-(chloromethyl)-6-fluoro-1-propylbenzimidazole
CID 62378241
2-(2-chloroethyl)-1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazole
CID 113457934
2-(2-chloroethyl)-6-fluoro-1-(pyridazin-3-ylmethyl)benzimidazole
CID 106896969
3-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N-propylpropanamide
CID 62375851
2-(2-chloroethyl)-6-fluoro-1-[2-(3-methylbutoxy)ethyl]benzimidazole
CID 62376014
5-[2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420320
2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N-(2-methoxyethyl)-N-methylethanamine
CID 62845041
2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
CID 43666424
3-[2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,1-dimethylurea
CID 83112604

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole (CID 62377536) is 2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole is CCn1c(CCCl)nc2ccc(F)cc21.
What is the InChIKey of 2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole?
The InChIKey is DNNZYAZNXRGKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2/c1-2-15-10-7-8(13)3-4-9(10)14-11(15)5-6-12/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole?
2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole has a molecular weight of 226.68 g/mol, XLogP of 2.98, 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-ethyl-6-fluorobenzimidazole is sourced from PubChem (CID 62377536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).