2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole

C14H16ClFN2O — CID 113482198

IUPAC2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole
SMILESCC(Cl)c1nc2cc(F)ccc2n1C1(C)CCOC1
InChIInChI=1S/C14H16ClFN2O/c1-9(15)13-17-11-7-10(16)3-4-12(11)18(13)14(2)5-6-19-8-14/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyCUCGUNSGEUQPLV-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.61
Rot. Bonds2

About 2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole

2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole (PubChem CID 113482198) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole
PubChem CID113482198
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole
SMILESCC(Cl)c1nc2cc(F)ccc2n1C1(C)CCOC1
InChIInChI=1S/C14H16ClFN2O/c1-9(15)13-17-11-7-10(16)3-4-12(11)18(13)14(2)5-6-19-8-14/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyCUCGUNSGEUQPLV-UHFFFAOYSA-N
XLogP3.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.61
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

6-bromo-2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole
CID 116739367
2-(1-chloroethyl)-5-iodo-1-(1-methylcyclohexyl)benzimidazole
CID 66081652
2-(chloromethyl)-6-fluoro-1-(4-methyloxan-4-yl)benzimidazole
CID 113491217
2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667555
2-(1-chloroethyl)-5-fluoro-1-piperidin-1-ylbenzimidazole
CID 83018003
2-(1-chloroethyl)-5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole
CID 43667615
2-(1-chloroethyl)-6-fluoro-1-(oxan-4-yl)benzimidazole
CID 62377905
2-(1-chloroethyl)-5-fluoro-1-(2-methoxyphenyl)benzimidazole
CID 43666773
2-(1-chloroethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 43666703
2-(2-chloroethyl)-5-fluoro-1-(1-methylcyclobutyl)benzimidazole
CID 113485698
2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]propanamide
CID 43667651
2-(1-chloroethyl)-5-fluoro-1-(furan-2-ylmethyl)benzimidazole
CID 43666310

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole (CID 113482198) is 2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole is CC(Cl)c1nc2cc(F)ccc2n1C1(C)CCOC1.
What is the InChIKey of 2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole?
The InChIKey is CUCGUNSGEUQPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c1-9(15)13-17-11-7-10(16)3-4-12(11)18(13)14(2)5-6-19-8-14/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole?
2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole has a molecular weight of 282.75 g/mol, XLogP of 3.61, 2 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-(3-methyloxolan-3-yl)benzimidazole is sourced from PubChem (CID 113482198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).