2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine

C15H22ClN3 — CID 83143728

IUPAC2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine
SMILESCC(Cn1c(CCCl)nc2cnccc21)C(C)(C)C
InChIInChI=1S/C15H22ClN3/c1-11(15(2,3)4)10-19-13-6-8-17-9-12(13)18-14(19)5-7-16/h6,8-9,11H,5,7,10H2,1-4H3
InChIKeyIYMXUNCBUBWBSU-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.89
Rot. Bonds4

About 2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine

2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine (PubChem CID 83143728) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine
PubChem CID83143728
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine
SMILESCC(Cn1c(CCCl)nc2cnccc21)C(C)(C)C
InChIInChI=1S/C15H22ClN3/c1-11(15(2,3)4)10-19-13-6-8-17-9-12(13)18-14(19)5-7-16/h6,8-9,11H,5,7,10H2,1-4H3
InChIKeyIYMXUNCBUBWBSU-UHFFFAOYSA-N
XLogP3.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.89
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-(5-methylhexyl)imidazo[4,5-c]pyridine
CID 115326595
2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine
CID 106330443
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine
CID 79292917
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethyl-N-methylethanamine
CID 79292261
2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine
CID 79292679
2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine
CID 79291828
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 79291879
2-(2-chloroethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine
CID 79291836
2-(2-chloroethyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine
CID 79292646
2-(2-chloroethyl)-1-[(2-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine
CID 79292880
2-(2-chloroethyl)-1-(thiolan-2-ylmethyl)imidazo[4,5-c]pyridine
CID 80585713
1-[(5-bromothiophen-2-yl)methyl]-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292128

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine (CID 83143728) is 2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine is CC(Cn1c(CCCl)nc2cnccc21)C(C)(C)C.
What is the InChIKey of 2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine?
The InChIKey is IYMXUNCBUBWBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-11(15(2,3)4)10-19-13-6-8-17-9-12(13)18-14(19)5-7-16/h6,8-9,11H,5,7,10H2,1-4H3.
What are the key properties of 2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine?
2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine has a molecular weight of 279.81 g/mol, XLogP of 3.89, 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-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 83143728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).