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

C15H20ClN3 — CID 79362122

IUPAC2-(1-chloroethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
SMILESCC(Cl)c1nc2cnccc2n1C1C(C)(C)C1(C)C
InChIInChI=1S/C15H20ClN3/c1-9(16)12-18-10-8-17-7-6-11(10)19(12)13-14(2,3)15(13,4)5/h6-9,13H,1-5H3
InChIKeySSVFZMVOXWQEFI-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.34
Rot. Bonds2

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

2-(1-chloroethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine (PubChem CID 79362122) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
PubChem CID79362122
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-(1-chloroethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
SMILESCC(Cl)c1nc2cnccc2n1C1C(C)(C)C1(C)C
InChIInChI=1S/C15H20ClN3/c1-9(16)12-18-10-8-17-7-6-11(10)19(12)13-14(2,3)15(13,4)5/h6-9,13H,1-5H3
InChIKeySSVFZMVOXWQEFI-UHFFFAOYSA-N
XLogP4.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.34
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)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
CID 79362124
3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 79290267
2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine
CID 107601553
2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine
CID 79292511
2-(1-chloroethyl)-1-(3,3-dimethylbutan-2-yl)imidazo[4,5-c]pyridine
CID 104829127
2-(1-chloroethyl)-1-piperidin-1-ylimidazo[4,5-c]pyridine
CID 83018634
2-(1-chloroethyl)-1-(3,4-dimethylphenyl)imidazo[4,5-c]pyridine
CID 79292083
2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
CID 115326628
3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine
CID 79292216
N-[2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-N-methylpropan-2-amine
CID 79292538
2-(1-chloroethyl)-1-heptan-2-ylimidazo[4,5-c]pyridine
CID 79292799
2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine
CID 107817087

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(1-chloroethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine (CID 79362122) is 2-(1-chloroethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine is CC(Cl)c1nc2cnccc2n1C1C(C)(C)C1(C)C.
What is the InChIKey of 2-(1-chloroethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine?
The InChIKey is SSVFZMVOXWQEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-9(16)12-18-10-8-17-7-6-11(10)19(12)13-14(2,3)15(13,4)5/h6-9,13H,1-5H3.
What are the key properties of 2-(1-chloroethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine?
2-(1-chloroethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine has a molecular weight of 277.80 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79362122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).