6-chloro-2-(1-chloroethyl)-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine

C15H21Cl2N3O — CID 106005185

IUPAC6-chloro-2-(1-chloroethyl)-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine
SMILESCC(C)OCCCCn1c(C(C)Cl)nc2cc(Cl)cnc21
InChIInChI=1S/C15H21Cl2N3O/c1-10(2)21-7-5-4-6-20-14(11(3)16)19-13-8-12(17)9-18-15(13)20/h8-11H,4-7H2,1-3H3
InChIKeyKEFNMTGZDUSFCG-UHFFFAOYSA-N
MW330.26 g/mol
LogP4.59
Rot. Bonds7

About 6-chloro-2-(1-chloroethyl)-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine

6-chloro-2-(1-chloroethyl)-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine (PubChem CID 106005185) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is 6-chloro-2-(1-chloroethyl)-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-(1-chloroethyl)-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine
PubChem CID106005185
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC Name6-chloro-2-(1-chloroethyl)-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine
SMILESCC(C)OCCCCn1c(C(C)Cl)nc2cc(Cl)cnc21
InChIInChI=1S/C15H21Cl2N3O/c1-10(2)21-7-5-4-6-20-14(11(3)16)19-13-8-12(17)9-18-15(13)20/h8-11H,4-7H2,1-3H3
InChIKeyKEFNMTGZDUSFCG-UHFFFAOYSA-N
XLogP4.59
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-chloroethyl)-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-(1-chloroethyl)-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine (CID 106005185) is 6-chloro-2-(1-chloroethyl)-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-2-(1-chloroethyl)-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-(1-chloroethyl)-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine is CC(C)OCCCCn1c(C(C)Cl)nc2cc(Cl)cnc21.
What is the InChIKey of 6-chloro-2-(1-chloroethyl)-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine?
The InChIKey is KEFNMTGZDUSFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-10(2)21-7-5-4-6-20-14(11(3)16)19-13-8-12(17)9-18-15(13)20/h8-11H,4-7H2,1-3H3.
What are the key properties of 6-chloro-2-(1-chloroethyl)-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine?
6-chloro-2-(1-chloroethyl)-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine has a molecular weight of 330.26 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-chloroethyl)-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 106005185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).