2-(1-chloroethyl)-5-fluoro-1-(furan-2-ylmethyl)benzimidazole

C14H12ClFN2O — CID 43666310

IUPAC2-(1-chloroethyl)-5-fluoro-1-(furan-2-ylmethyl)benzimidazole
SMILESCC(Cl)c1nc2cc(F)ccc2n1Cc1ccco1
InChIInChI=1S/C14H12ClFN2O/c1-9(15)14-17-12-7-10(16)4-5-13(12)18(14)8-11-3-2-6-19-11/h2-7,9H,8H2,1H3
InChIKeyFGCJIWPUHWZBLQ-UHFFFAOYSA-N
MW278.71 g/mol
LogP4.12
Rot. Bonds3

About 2-(1-chloroethyl)-5-fluoro-1-(furan-2-ylmethyl)benzimidazole

2-(1-chloroethyl)-5-fluoro-1-(furan-2-ylmethyl)benzimidazole (PubChem CID 43666310) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-fluoro-1-(furan-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-fluoro-1-(furan-2-ylmethyl)benzimidazole
PubChem CID43666310
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name2-(1-chloroethyl)-5-fluoro-1-(furan-2-ylmethyl)benzimidazole
SMILESCC(Cl)c1nc2cc(F)ccc2n1Cc1ccco1
InChIInChI=1S/C14H12ClFN2O/c1-9(15)14-17-12-7-10(16)4-5-13(12)18(14)8-11-3-2-6-19-11/h2-7,9H,8H2,1H3
InChIKeyFGCJIWPUHWZBLQ-UHFFFAOYSA-N
XLogP4.12
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 54.12
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)-6-fluoro-1-[2-(furan-2-yl)ethyl]benzimidazole
CID 62377209
1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 46310272
2-(1-chloroethyl)-5-fluoro-1-[(3-methylphenyl)methyl]benzimidazole
CID 60902916
2-[[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375758
2-(1-chloroethyl)-5-fluoro-1-[(1-methylpyrazol-3-yl)methyl]benzimidazole
CID 82874425
2-(1-chloroethyl)-5-fluoro-1-(2-methoxy-2-methylpropyl)benzimidazole
CID 104763471
1-[6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 46310271
6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole
CID 46310200
2-(1-chloroethyl)-5-fluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazole
CID 63960208
3-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine
CID 43666167
2-(1-chloroethyl)-1-(2-ethoxypropyl)-5-fluorobenzimidazole
CID 113477854
5-[[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,2-oxazole
CID 106420492

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-fluoro-1-(furan-2-ylmethyl)benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-5-fluoro-1-(furan-2-ylmethyl)benzimidazole (CID 43666310) is 2-(1-chloroethyl)-5-fluoro-1-(furan-2-ylmethyl)benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-fluoro-1-(furan-2-ylmethyl)benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-5-fluoro-1-(furan-2-ylmethyl)benzimidazole is CC(Cl)c1nc2cc(F)ccc2n1Cc1ccco1.
What is the InChIKey of 2-(1-chloroethyl)-5-fluoro-1-(furan-2-ylmethyl)benzimidazole?
The InChIKey is FGCJIWPUHWZBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-9(15)14-17-12-7-10(16)4-5-13(12)18(14)8-11-3-2-6-19-11/h2-7,9H,8H2,1H3.
What are the key properties of 2-(1-chloroethyl)-5-fluoro-1-(furan-2-ylmethyl)benzimidazole?
2-(1-chloroethyl)-5-fluoro-1-(furan-2-ylmethyl)benzimidazole has a molecular weight of 278.71 g/mol, XLogP of 4.12, 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-(furan-2-ylmethyl)benzimidazole is sourced from PubChem (CID 43666310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).