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

C14H20ClN3 — CID 104829127

IUPAC2-(1-chloroethyl)-1-(3,3-dimethylbutan-2-yl)imidazo[4,5-c]pyridine
SMILESCC(Cl)c1nc2cnccc2n1C(C)C(C)(C)C
InChIInChI=1S/C14H20ClN3/c1-9(15)13-17-11-8-16-7-6-12(11)18(13)10(2)14(3,4)5/h6-10H,1-5H3
InChIKeySVFNLQRDWSDNCH-UHFFFAOYSA-N
MW265.79 g/mol
LogP4.34
Rot. Bonds2

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

2-(1-chloroethyl)-1-(3,3-dimethylbutan-2-yl)imidazo[4,5-c]pyridine (PubChem CID 104829127) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(3,3-dimethylbutan-2-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(3,3-dimethylbutan-2-yl)imidazo[4,5-c]pyridine
PubChem CID104829127
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name2-(1-chloroethyl)-1-(3,3-dimethylbutan-2-yl)imidazo[4,5-c]pyridine
SMILESCC(Cl)c1nc2cnccc2n1C(C)C(C)(C)C
InChIInChI=1S/C14H20ClN3/c1-9(15)13-17-11-8-16-7-6-12(11)18(13)10(2)14(3,4)5/h6-10H,1-5H3
InChIKeySVFNLQRDWSDNCH-UHFFFAOYSA-N
XLogP4.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
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-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine
CID 79292511
2-(1-chloroethyl)-1-heptan-2-ylimidazo[4,5-c]pyridine
CID 79292799
2-(1-chloroethyl)-1-(4-methylsulfanylbutan-2-yl)imidazo[4,5-c]pyridine
CID 113477873
2-(1-chloroethyl)-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-c]pyridine
CID 79274266
(1R)-1-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethanamine
CID 97005120
2-(1-chloroethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
CID 79362122
2-(1-chloroethyl)-1-piperidin-1-ylimidazo[4,5-c]pyridine
CID 83018634
2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine
CID 107601553
3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,2,2-trimethylpropanamide
CID 106278840
2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
CID 115326628
2-(1-chloroethyl)-1-(3,4-dimethylphenyl)imidazo[4,5-c]pyridine
CID 79292083
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-(3,3-dimethylbutan-2-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(1-chloroethyl)-1-(3,3-dimethylbutan-2-yl)imidazo[4,5-c]pyridine (CID 104829127) is 2-(1-chloroethyl)-1-(3,3-dimethylbutan-2-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-1-(3,3-dimethylbutan-2-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-1-(3,3-dimethylbutan-2-yl)imidazo[4,5-c]pyridine is CC(Cl)c1nc2cnccc2n1C(C)C(C)(C)C.
What is the InChIKey of 2-(1-chloroethyl)-1-(3,3-dimethylbutan-2-yl)imidazo[4,5-c]pyridine?
The InChIKey is SVFNLQRDWSDNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-9(15)13-17-11-8-16-7-6-12(11)18(13)10(2)14(3,4)5/h6-10H,1-5H3.
What are the key properties of 2-(1-chloroethyl)-1-(3,3-dimethylbutan-2-yl)imidazo[4,5-c]pyridine?
2-(1-chloroethyl)-1-(3,3-dimethylbutan-2-yl)imidazo[4,5-c]pyridine has a molecular weight of 265.79 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-(3,3-dimethylbutan-2-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 104829127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).