2-(1-chloroethyl)-5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole

C15H18ClFN2O — CID 43667615

IUPAC2-(1-chloroethyl)-5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole
SMILESCC(Cl)c1nc2cc(F)ccc2n1C(C)C1CCCO1
InChIInChI=1S/C15H18ClFN2O/c1-9(16)15-18-12-8-11(17)5-6-13(12)19(15)10(2)14-4-3-7-20-14/h5-6,8-10,14H,3-4,7H2,1-2H3
InChIKeyCHQOEFFURSBQDO-UHFFFAOYSA-N
MW296.77 g/mol
LogP4.22
Rot. Bonds3

About 2-(1-chloroethyl)-5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole

2-(1-chloroethyl)-5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole (PubChem CID 43667615) has the molecular formula C15H18ClFN2O and a molecular weight of 296.77 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole
PubChem CID43667615
Molecular FormulaC15H18ClFN2O
Molecular Weight296.77 g/mol
Exact Mass296.11
IUPAC Name2-(1-chloroethyl)-5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole
SMILESCC(Cl)c1nc2cc(F)ccc2n1C(C)C1CCCO1
InChIInChI=1S/C15H18ClFN2O/c1-9(16)15-18-12-8-11(17)5-6-13(12)19(15)10(2)14-4-3-7-20-14/h5-6,8-10,14H,3-4,7H2,1-2H3
InChIKeyCHQOEFFURSBQDO-UHFFFAOYSA-N
XLogP4.22
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.77
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(1-chloroethyl)-5-methyl-1-[1-(oxolan-2-yl)ethyl]benzimidazole
CID 43667623
5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazol-2-amine
CID 43662119
2-(chloromethyl)-6-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole
CID 55067885
2-(1-chloroethyl)-6-fluoro-1-(oxolan-2-ylmethyl)benzimidazole
CID 62378406
2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]propanamide
CID 43667651
2-tert-butyl-1-[1-(oxolan-2-yl)ethyl]benzimidazol-5-amine
CID 62507702
2-(1-chloroethyl)-5-fluoro-1-piperidin-1-ylbenzimidazole
CID 83018003
2-(1-chloroethyl)-1-(1-cyclopropylethyl)-5-(trifluoromethyl)benzimidazole
CID 115502219
2-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole
CID 43667620
2-(1-chloroethyl)-1-(1-cyclopentylethyl)-5-fluoro-6-methylbenzimidazole
CID 103593761
2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide
CID 43667749
2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667555

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole (CID 43667615) is 2-(1-chloroethyl)-5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole is CC(Cl)c1nc2cc(F)ccc2n1C(C)C1CCCO1.
What is the InChIKey of 2-(1-chloroethyl)-5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole?
The InChIKey is CHQOEFFURSBQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O/c1-9(16)15-18-12-8-11(17)5-6-13(12)19(15)10(2)14-4-3-7-20-14/h5-6,8-10,14H,3-4,7H2,1-2H3.
What are the key properties of 2-(1-chloroethyl)-5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole?
2-(1-chloroethyl)-5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole has a molecular weight of 296.77 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole is sourced from PubChem (CID 43667615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).