2-(2-chloroethyl)-1-ethyl-7-fluorobenzimidazole

C11H12ClFN2 — CID 130526495

IUPAC2-(2-chloroethyl)-1-ethyl-7-fluorobenzimidazole
SMILESCCn1c(CCCl)nc2cccc(F)c21
InChIInChI=1S/C11H12ClFN2/c1-2-15-10(6-7-12)14-9-5-3-4-8(13)11(9)15/h3-5H,2,6-7H2,1H3
InChIKeyKFIFTCGCHMSJDJ-UHFFFAOYSA-N
MW226.68 g/mol
LogP2.98
Rot. Bonds3

About 2-(2-chloroethyl)-1-ethyl-7-fluorobenzimidazole

2-(2-chloroethyl)-1-ethyl-7-fluorobenzimidazole (PubChem CID 130526495) has the molecular formula C11H12ClFN2 and a molecular weight of 226.68 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-ethyl-7-fluorobenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-ethyl-7-fluorobenzimidazole
PubChem CID130526495
Molecular FormulaC11H12ClFN2
Molecular Weight226.68 g/mol
Exact Mass226.07
IUPAC Name2-(2-chloroethyl)-1-ethyl-7-fluorobenzimidazole
SMILESCCn1c(CCCl)nc2cccc(F)c21
InChIInChI=1S/C11H12ClFN2/c1-2-15-10(6-7-12)14-9-5-3-4-8(13)11(9)15/h3-5H,2,6-7H2,1H3
InChIKeyKFIFTCGCHMSJDJ-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-ethyl-7-fluorobenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-ethyl-7-fluorobenzimidazole (CID 130526495) is 2-(2-chloroethyl)-1-ethyl-7-fluorobenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-ethyl-7-fluorobenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-ethyl-7-fluorobenzimidazole is CCn1c(CCCl)nc2cccc(F)c21.
What is the InChIKey of 2-(2-chloroethyl)-1-ethyl-7-fluorobenzimidazole?
The InChIKey is KFIFTCGCHMSJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2/c1-2-15-10(6-7-12)14-9-5-3-4-8(13)11(9)15/h3-5H,2,6-7H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-ethyl-7-fluorobenzimidazole?
2-(2-chloroethyl)-1-ethyl-7-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-7-fluorobenzimidazole is sourced from PubChem (CID 130526495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).