2-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethoxy]acetamide

C12H14Cl2N4O2 — CID 106240505

IUPAC2-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethoxy]acetamide
SMILESCC(Cl)c1nc2cc(Cl)cnc2n1CCOCC(N)=O
InChIInChI=1S/C12H14Cl2N4O2/c1-7(13)11-17-9-4-8(14)5-16-12(9)18(11)2-3-20-6-10(15)19/h4-5,7H,2-3,6H2,1H3,(H2,15,19)
InChIKeyNLNIQRCHZZQEIC-UHFFFAOYSA-N
MW317.18 g/mol
LogP1.89
Rot. Bonds6

About 2-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethoxy]acetamide

2-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethoxy]acetamide (PubChem CID 106240505) has the molecular formula C12H14Cl2N4O2 and a molecular weight of 317.18 g/mol. Its IUPAC name is 2-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethoxy]acetamide
PubChem CID106240505
Molecular FormulaC12H14Cl2N4O2
Molecular Weight317.18 g/mol
Exact Mass316.05
IUPAC Name2-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethoxy]acetamide
SMILESCC(Cl)c1nc2cc(Cl)cnc2n1CCOCC(N)=O
InChIInChI=1S/C12H14Cl2N4O2/c1-7(13)11-17-9-4-8(14)5-16-12(9)18(11)2-3-20-6-10(15)19/h4-5,7H,2-3,6H2,1H3,(H2,15,19)
InChIKeyNLNIQRCHZZQEIC-UHFFFAOYSA-N
XLogP1.89
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethylurea
CID 83114812
6-chloro-2-(1-chloroethyl)-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine
CID 106005185
2-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethoxy]acetamide
CID 106240491
N-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-ethylpropan-1-amine
CID 106004677
2-[2-[2-(1-chloroethyl)-5-iodobenzimidazol-1-yl]ethoxy]acetamide
CID 106240496
6-chloro-2-(1-chloroethyl)-3-(3-ethylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 114248555
3-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 106420154
3-(6-chloro-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanethioamide
CID 82151779
6-chloro-2-(1-chloroethyl)-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridine
CID 113475680
2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide
CID 106240243
2-[2-[5-(1-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]ethoxy]acetamide
CID 106240657
2-[2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine
CID 82143988

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethoxy]acetamide?
The IUPAC name of 2-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethoxy]acetamide (CID 106240505) is 2-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethoxy]acetamide?
The canonical SMILES for 2-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethoxy]acetamide is CC(Cl)c1nc2cc(Cl)cnc2n1CCOCC(N)=O.
What is the InChIKey of 2-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethoxy]acetamide?
The InChIKey is NLNIQRCHZZQEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4O2/c1-7(13)11-17-9-4-8(14)5-16-12(9)18(11)2-3-20-6-10(15)19/h4-5,7H,2-3,6H2,1H3,(H2,15,19).
What are the key properties of 2-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethoxy]acetamide?
2-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethoxy]acetamide has a molecular weight of 317.18 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethoxy]acetamide is sourced from PubChem (CID 106240505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).