2-(1-chloroethyl)-1-[(2-ethylphenyl)methyl]imidazo[4,5-c]pyridine

C17H18ClN3 — CID 79274286

IUPAC2-(1-chloroethyl)-1-[(2-ethylphenyl)methyl]imidazo[4,5-c]pyridine
SMILESCCc1ccccc1Cn1c(C(C)Cl)nc2cnccc21
InChIInChI=1S/C17H18ClN3/c1-3-13-6-4-5-7-14(13)11-21-16-8-9-19-10-15(16)20-17(21)12(2)18/h4-10,12H,3,11H2,1-2H3
InChIKeyZNJXMEWXGFJNFN-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.34
Rot. Bonds4

About 2-(1-chloroethyl)-1-[(2-ethylphenyl)methyl]imidazo[4,5-c]pyridine

2-(1-chloroethyl)-1-[(2-ethylphenyl)methyl]imidazo[4,5-c]pyridine (PubChem CID 79274286) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-[(2-ethylphenyl)methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-[(2-ethylphenyl)methyl]imidazo[4,5-c]pyridine
PubChem CID79274286
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name2-(1-chloroethyl)-1-[(2-ethylphenyl)methyl]imidazo[4,5-c]pyridine
SMILESCCc1ccccc1Cn1c(C(C)Cl)nc2cnccc21
InChIInChI=1S/C17H18ClN3/c1-3-13-6-4-5-7-14(13)11-21-16-8-9-19-10-15(16)20-17(21)12(2)18/h4-10,12H,3,11H2,1-2H3
InChIKeyZNJXMEWXGFJNFN-UHFFFAOYSA-N
XLogP4.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.34
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-[(1,5-dimethylpyrazol-4-yl)methyl]imidazo[4,5-c]pyridine
CID 106036565
2-(1-chloroethyl)-1-[2-(2-fluorophenyl)ethyl]imidazo[4,5-c]pyridine
CID 79274938
2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazo[4,5-c]pyridine
CID 79292047
2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine
CID 79292472
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
2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethylacetamide
CID 79292094
2-(1-chloroethyl)-5-methyl-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole
CID 114701247
2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide
CID 79292930
2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
CID 115326628
2-(1-chloroethyl)-6-methyl-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole
CID 114701298
3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine
CID 79292216

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-[(2-ethylphenyl)methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(1-chloroethyl)-1-[(2-ethylphenyl)methyl]imidazo[4,5-c]pyridine (CID 79274286) is 2-(1-chloroethyl)-1-[(2-ethylphenyl)methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-1-[(2-ethylphenyl)methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-1-[(2-ethylphenyl)methyl]imidazo[4,5-c]pyridine is CCc1ccccc1Cn1c(C(C)Cl)nc2cnccc21.
What is the InChIKey of 2-(1-chloroethyl)-1-[(2-ethylphenyl)methyl]imidazo[4,5-c]pyridine?
The InChIKey is ZNJXMEWXGFJNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-3-13-6-4-5-7-14(13)11-21-16-8-9-19-10-15(16)20-17(21)12(2)18/h4-10,12H,3,11H2,1-2H3.
What are the key properties of 2-(1-chloroethyl)-1-[(2-ethylphenyl)methyl]imidazo[4,5-c]pyridine?
2-(1-chloroethyl)-1-[(2-ethylphenyl)methyl]imidazo[4,5-c]pyridine has a molecular weight of 299.81 g/mol, XLogP of 4.34, 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-ethylphenyl)methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 79274286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).