2-(1-chloroethyl)-1-[2-(2-fluorophenyl)ethyl]imidazo[4,5-c]pyridine

C16H15ClFN3 — CID 79274938

IUPAC2-(1-chloroethyl)-1-[2-(2-fluorophenyl)ethyl]imidazo[4,5-c]pyridine
SMILESCC(Cl)c1nc2cnccc2n1CCc1ccccc1F
InChIInChI=1S/C16H15ClFN3/c1-11(17)16-20-14-10-19-8-6-15(14)21(16)9-7-12-4-2-3-5-13(12)18/h2-6,8,10-11H,7,9H2,1H3
InChIKeyUPMKNOLFNARUKS-UHFFFAOYSA-N
MW303.77 g/mol
LogP4.11
Rot. Bonds4

About 2-(1-chloroethyl)-1-[2-(2-fluorophenyl)ethyl]imidazo[4,5-c]pyridine

2-(1-chloroethyl)-1-[2-(2-fluorophenyl)ethyl]imidazo[4,5-c]pyridine (PubChem CID 79274938) has the molecular formula C16H15ClFN3 and a molecular weight of 303.77 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-[2-(2-fluorophenyl)ethyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-[2-(2-fluorophenyl)ethyl]imidazo[4,5-c]pyridine
PubChem CID79274938
Molecular FormulaC16H15ClFN3
Molecular Weight303.77 g/mol
Exact Mass303.09
IUPAC Name2-(1-chloroethyl)-1-[2-(2-fluorophenyl)ethyl]imidazo[4,5-c]pyridine
SMILESCC(Cl)c1nc2cnccc2n1CCc1ccccc1F
InChIInChI=1S/C16H15ClFN3/c1-11(17)16-20-14-10-19-8-6-15(14)21(16)9-7-12-4-2-3-5-13(12)18/h2-6,8,10-11H,7,9H2,1H3
InChIKeyUPMKNOLFNARUKS-UHFFFAOYSA-N
XLogP4.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 54.11
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)-1-[(2-ethylphenyl)methyl]imidazo[4,5-c]pyridine
CID 79274286
2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
CID 115326628
3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine
CID 79292216
N-[2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-N-methylpropan-2-amine
CID 79292538
2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine
CID 107817087
2-(1-chloroethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]imidazo[4,5-c]pyridine
CID 106036565
2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazo[4,5-c]pyridine
CID 79292047
2-(1-chloroethyl)-1-[2-(4-chlorophenyl)ethyl]benzimidazole
CID 63545217
2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine
CID 79292472
2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide
CID 79292930
5-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 79292805
2-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 106375889

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-[2-(2-fluorophenyl)ethyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(1-chloroethyl)-1-[2-(2-fluorophenyl)ethyl]imidazo[4,5-c]pyridine (CID 79274938) is 2-(1-chloroethyl)-1-[2-(2-fluorophenyl)ethyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-1-[2-(2-fluorophenyl)ethyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-1-[2-(2-fluorophenyl)ethyl]imidazo[4,5-c]pyridine is CC(Cl)c1nc2cnccc2n1CCc1ccccc1F.
What is the InChIKey of 2-(1-chloroethyl)-1-[2-(2-fluorophenyl)ethyl]imidazo[4,5-c]pyridine?
The InChIKey is UPMKNOLFNARUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3/c1-11(17)16-20-14-10-19-8-6-15(14)21(16)9-7-12-4-2-3-5-13(12)18/h2-6,8,10-11H,7,9H2,1H3.
What are the key properties of 2-(1-chloroethyl)-1-[2-(2-fluorophenyl)ethyl]imidazo[4,5-c]pyridine?
2-(1-chloroethyl)-1-[2-(2-fluorophenyl)ethyl]imidazo[4,5-c]pyridine has a molecular weight of 303.77 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-[2-(2-fluorophenyl)ethyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 79274938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).