2-(1-chloroethyl)-5-methyl-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine

C15H20ClN3 — CID 114109042

IUPAC2-(1-chloroethyl)-5-methyl-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine
SMILESCc1ccc2nc(C(C)Cl)n(CC3(C)CCC3)c2n1
InChIInChI=1S/C15H20ClN3/c1-10-5-6-12-14(17-10)19(13(18-12)11(2)16)9-15(3)7-4-8-15/h5-6,11H,4,7-9H2,1-3H3
InChIKeyHQVAZBPSTWLAQV-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.23
Rot. Bonds3

About 2-(1-chloroethyl)-5-methyl-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine

2-(1-chloroethyl)-5-methyl-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine (PubChem CID 114109042) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-methyl-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-methyl-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine
PubChem CID114109042
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-(1-chloroethyl)-5-methyl-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine
SMILESCc1ccc2nc(C(C)Cl)n(CC3(C)CCC3)c2n1
InChIInChI=1S/C15H20ClN3/c1-10-5-6-12-14(17-10)19(13(18-12)11(2)16)9-15(3)7-4-8-15/h5-6,11H,4,7-9H2,1-3H3
InChIKeyHQVAZBPSTWLAQV-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
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-(1-chloroethyl)-5-methyl-3-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 81135454
2-(1-chloroethyl)-5-fluoro-6-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole
CID 103593730
2-(1-chloroethyl)-3-(4,4-dimethylcyclohexyl)-5-methylimidazo[4,5-b]pyridine
CID 81141461
2-(1-chloroethyl)-5-methyl-3-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 81136315
2-(1-chloroethyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 81135521
2-(1-chloroethyl)-5-methyl-3-(5,5,5-trifluoropentyl)imidazo[4,5-b]pyridine
CID 115521108
4-[[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole
CID 81135612
2-(1-chloroethyl)-5-methyl-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 81136372
2-(1-chloroethyl)-5-methyl-3-piperidin-1-ylimidazo[4,5-b]pyridine
CID 83017886
2-(1-chloroethyl)-5-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridine
CID 81135457
methyl 3-[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]propanoate
CID 81136308
3-tert-butyl-2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridine
CID 81135595

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-methyl-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-5-methyl-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine (CID 114109042) is 2-(1-chloroethyl)-5-methyl-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-5-methyl-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-5-methyl-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine is Cc1ccc2nc(C(C)Cl)n(CC3(C)CCC3)c2n1.
What is the InChIKey of 2-(1-chloroethyl)-5-methyl-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is HQVAZBPSTWLAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-10-5-6-12-14(17-10)19(13(18-12)11(2)16)9-15(3)7-4-8-15/h5-6,11H,4,7-9H2,1-3H3.
What are the key properties of 2-(1-chloroethyl)-5-methyl-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine?
2-(1-chloroethyl)-5-methyl-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 277.80 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-methyl-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 114109042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).