2-(chloromethyl)-1-(2,2-dimethyloxan-4-yl)imidazo[4,5-c]pyridine

C14H18ClN3O — CID 83029337

IUPAC2-(chloromethyl)-1-(2,2-dimethyloxan-4-yl)imidazo[4,5-c]pyridine
SMILESCC1(C)CC(n2c(CCl)nc3cnccc32)CCO1
InChIInChI=1S/C14H18ClN3O/c1-14(2)7-10(4-6-19-14)18-12-3-5-16-9-11(12)17-13(18)8-15/h3,5,9-10H,4,6-8H2,1-2H3
InChIKeyYXBGYJXZWOLVQR-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.30
Rot. Bonds2

About 2-(chloromethyl)-1-(2,2-dimethyloxan-4-yl)imidazo[4,5-c]pyridine

2-(chloromethyl)-1-(2,2-dimethyloxan-4-yl)imidazo[4,5-c]pyridine (PubChem CID 83029337) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,2-dimethyloxan-4-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,2-dimethyloxan-4-yl)imidazo[4,5-c]pyridine
PubChem CID83029337
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-(chloromethyl)-1-(2,2-dimethyloxan-4-yl)imidazo[4,5-c]pyridine
SMILESCC1(C)CC(n2c(CCl)nc3cnccc32)CCO1
InChIInChI=1S/C14H18ClN3O/c1-14(2)7-10(4-6-19-14)18-12-3-5-16-9-11(12)17-13(18)8-15/h3,5,9-10H,4,6-8H2,1-2H3
InChIKeyYXBGYJXZWOLVQR-UHFFFAOYSA-N
XLogP3.30
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
CID 79362124
2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine
CID 79292719
6-bromo-2-(2-chloroethyl)-1-(2,2-dimethyloxan-4-yl)benzimidazole
CID 83034239
2-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine
CID 79292911
1-(1-azabicyclo[2.2.2]octan-3-yl)-2-(chloromethyl)imidazo[4,5-c]pyridine
CID 79291935
3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidine-2,6-dione
CID 79289296
4-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]morpholine
CID 83017656
2-(2-chloroethyl)-1-(3,4-dimethylcyclohexyl)imidazo[4,5-c]pyridine
CID 79292202
2-(2-chloroethyl)-1-(2,2-dimethylcyclohexyl)imidazo[4,5-c]pyridine
CID 79871479
2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine
CID 79292816
1-(2,2-dimethyloxan-4-yl)-6-fluorobenzimidazol-2-amine
CID 83028668
2-(2-chloroethyl)-1-(1-ethylpiperidin-3-yl)imidazo[4,5-c]pyridine
CID 79292874

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2,2-dimethyloxan-4-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(chloromethyl)-1-(2,2-dimethyloxan-4-yl)imidazo[4,5-c]pyridine (CID 83029337) is 2-(chloromethyl)-1-(2,2-dimethyloxan-4-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(chloromethyl)-1-(2,2-dimethyloxan-4-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(chloromethyl)-1-(2,2-dimethyloxan-4-yl)imidazo[4,5-c]pyridine is CC1(C)CC(n2c(CCl)nc3cnccc32)CCO1.
What is the InChIKey of 2-(chloromethyl)-1-(2,2-dimethyloxan-4-yl)imidazo[4,5-c]pyridine?
The InChIKey is YXBGYJXZWOLVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-14(2)7-10(4-6-19-14)18-12-3-5-16-9-11(12)17-13(18)8-15/h3,5,9-10H,4,6-8H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-(2,2-dimethyloxan-4-yl)imidazo[4,5-c]pyridine?
2-(chloromethyl)-1-(2,2-dimethyloxan-4-yl)imidazo[4,5-c]pyridine has a molecular weight of 279.77 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2,2-dimethyloxan-4-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 83029337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).