2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole

C16H14ClFN2 — CID 43660125

IUPAC2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole
SMILESCC(c1ccccc1)n1c(CCl)nc2cc(F)ccc21
InChIInChI=1S/C16H14ClFN2/c1-11(12-5-3-2-4-6-12)20-15-8-7-13(18)9-14(15)19-16(20)10-17/h2-9,11H,10H2,1H3
InChIKeyRCSWUCSNDWKXBT-UHFFFAOYSA-N
MW288.75 g/mol
LogP4.52
Rot. Bonds3

About 2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole

2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole (PubChem CID 43660125) has the molecular formula C16H14ClFN2 and a molecular weight of 288.75 g/mol. Its IUPAC name is 2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole
PubChem CID43660125
Molecular FormulaC16H14ClFN2
Molecular Weight288.75 g/mol
Exact Mass288.08
IUPAC Name2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole
SMILESCC(c1ccccc1)n1c(CCl)nc2cc(F)ccc21
InChIInChI=1S/C16H14ClFN2/c1-11(12-5-3-2-4-6-12)20-15-8-7-13(18)9-14(15)19-16(20)10-17/h2-9,11H,10H2,1H3
InChIKeyRCSWUCSNDWKXBT-UHFFFAOYSA-N
XLogP4.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 54.52
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

1-[1-(3-bromophenyl)ethyl]-2-(chloromethyl)-5-fluorobenzimidazole
CID 63546662
1-[1-(4-bromophenyl)ethyl]-2-(chloromethyl)-6-fluorobenzimidazole
CID 63546319
2-(chloromethyl)-1-[1-(2-chlorophenyl)ethyl]-6-fluorobenzimidazole
CID 62377043
2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
CID 43666303
2-(chloromethyl)-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazole
CID 62378078
methyl 2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]propanoate
CID 54960515
2-(chloromethyl)-6-fluoro-1-(2-phenylpropyl)benzimidazole
CID 104591930
1-butan-2-yl-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 43666323
2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine
CID 79289366
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
[5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine
CID 82334325
2-(chloromethyl)-1-(1-cyclohexylpropyl)-5-fluorobenzimidazole
CID 63547042

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole (CID 43660125) is 2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole is CC(c1ccccc1)n1c(CCl)nc2cc(F)ccc21.
What is the InChIKey of 2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole?
The InChIKey is RCSWUCSNDWKXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2/c1-11(12-5-3-2-4-6-12)20-15-8-7-13(18)9-14(15)19-16(20)10-17/h2-9,11H,10H2,1H3.
What are the key properties of 2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole?
2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole has a molecular weight of 288.75 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole is sourced from PubChem (CID 43660125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).