2-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine

C15H20ClN3 — CID 79294728

IUPAC2-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine
SMILESCCC1CCC(n2c(CCl)nc3cccnc32)CC1
InChIInChI=1S/C15H20ClN3/c1-2-11-5-7-12(8-6-11)19-14(10-16)18-13-4-3-9-17-15(13)19/h3-4,9,11-12H,2,5-8,10H2,1H3
InChIKeyGUUWQNXSDABPID-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.31
Rot. Bonds3

About 2-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine

2-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine (PubChem CID 79294728) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine
PubChem CID79294728
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine
SMILESCCC1CCC(n2c(CCl)nc3cccnc32)CC1
InChIInChI=1S/C15H20ClN3/c1-2-11-5-7-12(8-6-11)19-14(10-16)18-13-4-3-9-17-15(13)19/h3-4,9,11-12H,2,5-8,10H2,1H3
InChIKeyGUUWQNXSDABPID-UHFFFAOYSA-N
XLogP4.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.31
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-(chloromethyl)-3-(4-ethylcyclohexyl)-5-methylimidazo[4,5-b]pyridine
CID 81136095
4-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1-oxide
CID 113480268
3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79294395
4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
CID 117165614
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688
ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate
CID 79474872
5-bromo-2-(chloromethyl)-1-(4-ethylcyclohexyl)benzimidazole
CID 63545228
4-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117161703
2-(chloromethyl)-1-(4-ethylcyclohexyl)-5-iodobenzimidazole
CID 66081249
3-[(3R)-1-benzylpiperidin-3-yl]-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 97166664
(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 82474489
3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161718

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine (CID 79294728) is 2-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine is CCC1CCC(n2c(CCl)nc3cccnc32)CC1.
What is the InChIKey of 2-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine?
The InChIKey is GUUWQNXSDABPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-2-11-5-7-12(8-6-11)19-14(10-16)18-13-4-3-9-17-15(13)19/h3-4,9,11-12H,2,5-8,10H2,1H3.
What are the key properties of 2-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine has a molecular weight of 277.80 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79294728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).