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

C16H22ClN3 — CID 79292880

IUPAC2-(2-chloroethyl)-1-[(2-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine
SMILESCC1CCCCC1Cn1c(CCCl)nc2cnccc21
InChIInChI=1S/C16H22ClN3/c1-12-4-2-3-5-13(12)11-20-15-7-9-18-10-14(15)19-16(20)6-8-17/h7,9-10,12-13H,2-6,8,11H2,1H3
InChIKeyLILCOTADERRZAL-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.04
Rot. Bonds4

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

2-(2-chloroethyl)-1-[(2-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine (PubChem CID 79292880) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-[(2-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-[(2-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine
PubChem CID79292880
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-(2-chloroethyl)-1-[(2-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine
SMILESCC1CCCCC1Cn1c(CCCl)nc2cnccc21
InChIInChI=1S/C16H22ClN3/c1-12-4-2-3-5-13(12)11-20-15-7-9-18-10-14(15)19-16(20)6-8-17/h7,9-10,12-13H,2-6,8,11H2,1H3
InChIKeyLILCOTADERRZAL-UHFFFAOYSA-N
XLogP4.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.04
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-[(2-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chloroethyl)-1-[(2-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine (CID 79292880) is 2-(2-chloroethyl)-1-[(2-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-1-[(2-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-1-[(2-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine is CC1CCCCC1Cn1c(CCCl)nc2cnccc21.
What is the InChIKey of 2-(2-chloroethyl)-1-[(2-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine?
The InChIKey is LILCOTADERRZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-12-4-2-3-5-13(12)11-20-15-7-9-18-10-14(15)19-16(20)6-8-17/h7,9-10,12-13H,2-6,8,11H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-[(2-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine?
2-(2-chloroethyl)-1-[(2-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine has a molecular weight of 291.83 g/mol, XLogP of 4.04, 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-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 79292880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).