2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine

C15H20ClN3 — CID 79294577

IUPAC2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cccnc2n1CC1CCCCC1
InChIInChI=1S/C15H20ClN3/c16-9-8-14-18-13-7-4-10-17-15(13)19(14)11-12-5-2-1-3-6-12/h4,7,10,12H,1-3,5-6,8-9,11H2
InChIKeyGZXSTQMQUHRXJN-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.79
Rot. Bonds4

About 2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine (PubChem CID 79294577) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine
PubChem CID79294577
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cccnc2n1CC1CCCCC1
InChIInChI=1S/C15H20ClN3/c16-9-8-14-18-13-7-4-10-17-15(13)19(14)11-12-5-2-1-3-6-12/h4,7,10,12H,1-3,5-6,8-9,11H2
InChIKeyGZXSTQMQUHRXJN-UHFFFAOYSA-N
XLogP3.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.79
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)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine (CID 79294577) is 2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine is ClCCc1nc2cccnc2n1CC1CCCCC1.
What is the InChIKey of 2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is GZXSTQMQUHRXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c16-9-8-14-18-13-7-4-10-17-15(13)19(14)11-12-5-2-1-3-6-12/h4,7,10,12H,1-3,5-6,8-9,11H2.
What are the key properties of 2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 277.80 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79294577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).