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

C17H18ClN3 — CID 79273060

IUPAC2-(2-chloroethyl)-1-(1-phenylpropan-2-yl)imidazo[4,5-c]pyridine
SMILESCC(Cc1ccccc1)n1c(CCCl)nc2cnccc21
InChIInChI=1S/C17H18ClN3/c1-13(11-14-5-3-2-4-6-14)21-16-8-10-19-12-15(16)20-17(21)7-9-18/h2-6,8,10,12-13H,7,9,11H2,1H3
InChIKeyPPTUSLQHQNTWTJ-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.02
Rot. Bonds5

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

2-(2-chloroethyl)-1-(1-phenylpropan-2-yl)imidazo[4,5-c]pyridine (PubChem CID 79273060) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(1-phenylpropan-2-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(1-phenylpropan-2-yl)imidazo[4,5-c]pyridine
PubChem CID79273060
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name2-(2-chloroethyl)-1-(1-phenylpropan-2-yl)imidazo[4,5-c]pyridine
SMILESCC(Cc1ccccc1)n1c(CCCl)nc2cnccc21
InChIInChI=1S/C17H18ClN3/c1-13(11-14-5-3-2-4-6-14)21-16-8-10-19-12-15(16)20-17(21)7-9-18/h2-6,8,10,12-13H,7,9,11H2,1H3
InChIKeyPPTUSLQHQNTWTJ-UHFFFAOYSA-N
XLogP4.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(1-phenylpropan-2-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chloroethyl)-1-(1-phenylpropan-2-yl)imidazo[4,5-c]pyridine (CID 79273060) is 2-(2-chloroethyl)-1-(1-phenylpropan-2-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(1-phenylpropan-2-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-1-(1-phenylpropan-2-yl)imidazo[4,5-c]pyridine is CC(Cc1ccccc1)n1c(CCCl)nc2cnccc21.
What is the InChIKey of 2-(2-chloroethyl)-1-(1-phenylpropan-2-yl)imidazo[4,5-c]pyridine?
The InChIKey is PPTUSLQHQNTWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-13(11-14-5-3-2-4-6-14)21-16-8-10-19-12-15(16)20-17(21)7-9-18/h2-6,8,10,12-13H,7,9,11H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-(1-phenylpropan-2-yl)imidazo[4,5-c]pyridine?
2-(2-chloroethyl)-1-(1-phenylpropan-2-yl)imidazo[4,5-c]pyridine has a molecular weight of 299.81 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(1-phenylpropan-2-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79273060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).