2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole

C16H15ClFN3 — CID 43666287

IUPAC2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole
SMILESFc1ccc2c(c1)nc(CCCl)n2CCc1ccccn1
InChIInChI=1S/C16H15ClFN3/c17-8-6-16-20-14-11-12(18)4-5-15(14)21(16)10-7-13-3-1-2-9-19-13/h1-5,9,11H,6-8,10H2
InChIKeyBEVJFYIZWTXAJK-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.59
Rot. Bonds5

About 2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole

2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole (PubChem CID 43666287) has the molecular formula C16H15ClFN3 and a molecular weight of 303.77 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole
PubChem CID43666287
Molecular FormulaC16H15ClFN3
Molecular Weight303.77 g/mol
Exact Mass303.09
IUPAC Name2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole
SMILESFc1ccc2c(c1)nc(CCCl)n2CCc1ccccn1
InChIInChI=1S/C16H15ClFN3/c17-8-6-16-20-14-11-12(18)4-5-15(14)21(16)10-7-13-3-1-2-9-19-13/h1-5,9,11H,6-8,10H2
InChIKeyBEVJFYIZWTXAJK-UHFFFAOYSA-N
XLogP3.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.59
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-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole
CID 43666246
2-(2-chloroethyl)-5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 62641115
2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole
CID 43666558
2-(2-chloroethyl)-5-fluoro-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazole
CID 80685395
2-(2-chloroethyl)-5-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine
CID 81141067
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazole
CID 66088069
5-[[2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]methyl]-1,2-oxazole
CID 114186588
2-(chloromethyl)-4-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole
CID 60789969
2-(chloromethyl)-6,7-difluoro-1-(2-pyridin-2-ylethyl)benzimidazole
CID 62533244
2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole
CID 62533609
N-[3-[2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]propyl]methanesulfonamide
CID 106339159
2-(2-chloroethyl)-6-fluoro-1-(pyridazin-3-ylmethyl)benzimidazole
CID 106896969

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole (CID 43666287) is 2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole is Fc1ccc2c(c1)nc(CCCl)n2CCc1ccccn1.
What is the InChIKey of 2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole?
The InChIKey is BEVJFYIZWTXAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3/c17-8-6-16-20-14-11-12(18)4-5-15(14)21(16)10-7-13-3-1-2-9-19-13/h1-5,9,11H,6-8,10H2.
What are the key properties of 2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole?
2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole has a molecular weight of 303.77 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole is sourced from PubChem (CID 43666287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).