2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine

C14H18ClN3 — CID 79362124

IUPAC2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
SMILESCC1(C)C(n2c(CCl)nc3cnccc32)C1(C)C
InChIInChI=1S/C14H18ClN3/c1-13(2)12(14(13,3)4)18-10-5-6-16-8-9(10)17-11(18)7-15/h5-6,8,12H,7H2,1-4H3
InChIKeyGYLBGASXYBSCCK-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.78
Rot. Bonds2

About 2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine

2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine (PubChem CID 79362124) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
PubChem CID79362124
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
SMILESCC1(C)C(n2c(CCl)nc3cnccc32)C1(C)C
InChIInChI=1S/C14H18ClN3/c1-13(2)12(14(13,3)4)18-10-5-6-16-8-9(10)17-11(18)7-15/h5-6,8,12H,7H2,1-4H3
InChIKeyGYLBGASXYBSCCK-UHFFFAOYSA-N
XLogP3.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.78
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)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
CID 79362122
2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine
CID 79292719
2-(chloromethyl)-1-(2,2-dimethyloxan-4-yl)imidazo[4,5-c]pyridine
CID 83029337
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
2-(2-chloroethyl)-1-(2,2-dimethylcyclohexyl)imidazo[4,5-c]pyridine
CID 79871479
2-(2-chloroethyl)-1-(3,4-dimethylcyclohexyl)imidazo[4,5-c]pyridine
CID 79292202
2-(chloromethyl)-5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine
CID 81135976
2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine
CID 79292139
2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine
CID 79292578
2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine
CID 79292816

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine (CID 79362124) is 2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine is CC1(C)C(n2c(CCl)nc3cnccc32)C1(C)C.
What is the InChIKey of 2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine?
The InChIKey is GYLBGASXYBSCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-13(2)12(14(13,3)4)18-10-5-6-16-8-9(10)17-11(18)7-15/h5-6,8,12H,7H2,1-4H3.
What are the key properties of 2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine?
2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine has a molecular weight of 263.77 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79362124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).