4-chloro-1-[(1R)-1-[(4R)-2-ethoxy-1,3-dioxolan-4-yl]heptyl]imidazo[4,5-c]pyridine

C18H26ClN3O3 — CID 10384371

IUPAC4-chloro-1-[(1R)-1-[(4R)-2-ethoxy-1,3-dioxolan-4-yl]heptyl]imidazo[4,5-c]pyridine
SMILESCCCCCC[C@H]([C@@H]1COC(OCC)O1)n1cnc2c(Cl)nccc21
InChIInChI=1S/C18H26ClN3O3/c1-3-5-6-7-8-13(15-11-24-18(25-15)23-4-2)22-12-21-16-14(22)9-10-20-17(16)19/h9-10,12-13,15,18H,3-8,11H2,1-2H3/t13-,15+,18?/m1/s1
InChIKeyJZBXBUJVBFMSRD-PWXCZCIESA-N
MW367.88 g/mol
LogP4.33
Rot. Bonds9

About 4-chloro-1-[(1R)-1-[(4R)-2-ethoxy-1,3-dioxolan-4-yl]heptyl]imidazo[4,5-c]pyridine

4-chloro-1-[(1R)-1-[(4R)-2-ethoxy-1,3-dioxolan-4-yl]heptyl]imidazo[4,5-c]pyridine (PubChem CID 10384371) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 4-chloro-1-[(1R)-1-[(4R)-2-ethoxy-1,3-dioxolan-4-yl]heptyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-chloro-1-[(1R)-1-[(4R)-2-ethoxy-1,3-dioxolan-4-yl]heptyl]imidazo[4,5-c]pyridine
PubChem CID10384371
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name4-chloro-1-[(1R)-1-[(4R)-2-ethoxy-1,3-dioxolan-4-yl]heptyl]imidazo[4,5-c]pyridine
SMILESCCCCCC[C@H]([C@@H]1COC(OCC)O1)n1cnc2c(Cl)nccc21
InChIInChI=1S/C18H26ClN3O3/c1-3-5-6-7-8-13(15-11-24-18(25-15)23-4-2)22-12-21-16-14(22)9-10-20-17(16)19/h9-10,12-13,15,18H,3-8,11H2,1-2H3/t13-,15+,18?/m1/s1
InChIKeyJZBXBUJVBFMSRD-PWXCZCIESA-N
XLogP4.33
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(1R)-1-[(4R)-2-ethoxy-1,3-dioxolan-4-yl]heptyl]imidazo[4,5-c]pyridine?
The IUPAC name of 4-chloro-1-[(1R)-1-[(4R)-2-ethoxy-1,3-dioxolan-4-yl]heptyl]imidazo[4,5-c]pyridine (CID 10384371) is 4-chloro-1-[(1R)-1-[(4R)-2-ethoxy-1,3-dioxolan-4-yl]heptyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-chloro-1-[(1R)-1-[(4R)-2-ethoxy-1,3-dioxolan-4-yl]heptyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 4-chloro-1-[(1R)-1-[(4R)-2-ethoxy-1,3-dioxolan-4-yl]heptyl]imidazo[4,5-c]pyridine is CCCCCC[C@H]([C@@H]1COC(OCC)O1)n1cnc2c(Cl)nccc21.
What is the InChIKey of 4-chloro-1-[(1R)-1-[(4R)-2-ethoxy-1,3-dioxolan-4-yl]heptyl]imidazo[4,5-c]pyridine?
The InChIKey is JZBXBUJVBFMSRD-PWXCZCIESA-N. The full InChI is InChI=1S/C18H26ClN3O3/c1-3-5-6-7-8-13(15-11-24-18(25-15)23-4-2)22-12-21-16-14(22)9-10-20-17(16)19/h9-10,12-13,15,18H,3-8,11H2,1-2H3/t13-,15+,18?/m1/s1.
What are the key properties of 4-chloro-1-[(1R)-1-[(4R)-2-ethoxy-1,3-dioxolan-4-yl]heptyl]imidazo[4,5-c]pyridine?
4-chloro-1-[(1R)-1-[(4R)-2-ethoxy-1,3-dioxolan-4-yl]heptyl]imidazo[4,5-c]pyridine has a molecular weight of 367.88 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(1R)-1-[(4R)-2-ethoxy-1,3-dioxolan-4-yl]heptyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 10384371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).