2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine

C13H18ClN3 — CID 79295037

IUPAC2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine
SMILESCCC(C)Cn1c(C(C)Cl)nc2cccnc21
InChIInChI=1S/C13H18ClN3/c1-4-9(2)8-17-12(10(3)14)16-11-6-5-7-15-13(11)17/h5-7,9-10H,4,8H2,1-3H3
InChIKeyHDBVRUPXLKOXIP-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.78
Rot. Bonds4

About 2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine

2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine (PubChem CID 79295037) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine
PubChem CID79295037
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine
SMILESCCC(C)Cn1c(C(C)Cl)nc2cccnc21
InChIInChI=1S/C13H18ClN3/c1-4-9(2)8-17-12(10(3)14)16-11-6-5-7-15-13(11)17/h5-7,9-10H,4,8H2,1-3H3
InChIKeyHDBVRUPXLKOXIP-UHFFFAOYSA-N
XLogP3.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
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)-3-(2-phenylethyl)imidazo[4,5-b]pyridine
CID 79289928
2-(1-chloroethyl)-3-(3,3,3-trifluoropropyl)imidazo[4,5-b]pyridine
CID 79294318
2-(1-chloroethyl)-3-[(5-chlorothiophen-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294113
7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole
CID 55221624
2-(1-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 79294964
2-(1-chloroethyl)-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294750
2-(1-chloroethyl)-3-[2-(4-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79274501
2-(1-chloroethyl)-3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridine
CID 79274516
2-(1-chloroethyl)-3-hexan-3-ylimidazo[4,5-b]pyridine
CID 79294169
2-(1-chloroethyl)-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294675
2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine
CID 79294151
2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine
CID 79273265

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine (CID 79295037) is 2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine is CCC(C)Cn1c(C(C)Cl)nc2cccnc21.
What is the InChIKey of 2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine?
The InChIKey is HDBVRUPXLKOXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-4-9(2)8-17-12(10(3)14)16-11-6-5-7-15-13(11)17/h5-7,9-10H,4,8H2,1-3H3.
What are the key properties of 2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine?
2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine has a molecular weight of 251.76 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79295037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).