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

C16H16ClN3 — CID 79292778

IUPAC2-(2-chloroethyl)-1-(2-ethylphenyl)imidazo[4,5-c]pyridine
SMILESCCc1ccccc1-n1c(CCCl)nc2cnccc21
InChIInChI=1S/C16H16ClN3/c1-2-12-5-3-4-6-14(12)20-15-8-10-18-11-13(15)19-16(20)7-9-17/h3-6,8,10-11H,2,7,9H2,1H3
InChIKeyZRLNMJYDWFWRQY-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.76
Rot. Bonds4

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

2-(2-chloroethyl)-1-(2-ethylphenyl)imidazo[4,5-c]pyridine (PubChem CID 79292778) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2-ethylphenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2-ethylphenyl)imidazo[4,5-c]pyridine
PubChem CID79292778
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name2-(2-chloroethyl)-1-(2-ethylphenyl)imidazo[4,5-c]pyridine
SMILESCCc1ccccc1-n1c(CCCl)nc2cnccc21
InChIInChI=1S/C16H16ClN3/c1-2-12-5-3-4-6-14(12)20-15-8-10-18-11-13(15)19-16(20)7-9-17/h3-6,8,10-11H,2,7,9H2,1H3
InChIKeyZRLNMJYDWFWRQY-UHFFFAOYSA-N
XLogP3.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.76
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-chlorophenyl)imidazo[4,5-c]pyridine
CID 79292435
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline
CID 106760331
2-(2-chloroethyl)-1-(2-methoxyphenyl)imidazo[4,5-c]pyridine
CID 79291868
1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 107637663
2-(2-chloroethyl)-1-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine
CID 79292154
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292378
1-(3-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292847
1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292367
2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine
CID 106330443
2-(chloromethyl)-1-(3-chloro-2-methylphenyl)imidazo[4,5-c]pyridine
CID 79292643
2-(chloromethyl)-1-(2,3-dichlorophenyl)imidazo[4,5-c]pyridine
CID 79292227
2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole
CID 43666914

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2-ethylphenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chloroethyl)-1-(2-ethylphenyl)imidazo[4,5-c]pyridine (CID 79292778) is 2-(2-chloroethyl)-1-(2-ethylphenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2-ethylphenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-1-(2-ethylphenyl)imidazo[4,5-c]pyridine is CCc1ccccc1-n1c(CCCl)nc2cnccc21.
What is the InChIKey of 2-(2-chloroethyl)-1-(2-ethylphenyl)imidazo[4,5-c]pyridine?
The InChIKey is ZRLNMJYDWFWRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-2-12-5-3-4-6-14(12)20-15-8-10-18-11-13(15)19-16(20)7-9-17/h3-6,8,10-11H,2,7,9H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-(2-ethylphenyl)imidazo[4,5-c]pyridine?
2-(2-chloroethyl)-1-(2-ethylphenyl)imidazo[4,5-c]pyridine has a molecular weight of 285.78 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(2-ethylphenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79292778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).