2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine

C14H20ClN3 — CID 79293597

IUPAC2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine
SMILESCCC(C)Cn1c(CCCl)nc2c(C)ccnc21
InChIInChI=1S/C14H20ClN3/c1-4-10(2)9-18-12(5-7-15)17-13-11(3)6-8-16-14(13)18/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyKNMNEKAVDATCKR-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.57
Rot. Bonds5

About 2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine

2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine (PubChem CID 79293597) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine
PubChem CID79293597
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine
SMILESCCC(C)Cn1c(CCCl)nc2c(C)ccnc21
InChIInChI=1S/C14H20ClN3/c1-4-10(2)9-18-12(5-7-15)17-13-11(3)6-8-16-14(13)18/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyKNMNEKAVDATCKR-UHFFFAOYSA-N
XLogP3.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.57
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)-3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridine
CID 107817140
N-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylbutan-2-amine
CID 106004808
7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridin-2-amine
CID 79293994
N-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine
CID 79293158
2-(2-chloroethyl)-7-methyl-3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridine
CID 79276456
2-(2-chloroethyl)-7-methyl-3-[(2-methylpyrimidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79277501
2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylethanamine
CID 79294107
2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine
CID 79293422
3-[(4-bromophenyl)methyl]-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276187
2-(2-chloroethyl)-3-hexan-3-yl-7-methylimidazo[4,5-b]pyridine
CID 79293815
2-[[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 106375958
2-(2-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridine
CID 115991019

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine (CID 79293597) is 2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine is CCC(C)Cn1c(CCCl)nc2c(C)ccnc21.
What is the InChIKey of 2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine?
The InChIKey is KNMNEKAVDATCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-4-10(2)9-18-12(5-7-15)17-13-11(3)6-8-16-14(13)18/h6,8,10H,4-5,7,9H2,1-3H3.
What are the key properties of 2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine has a molecular weight of 265.79 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79293597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).