1-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]heptan-1-ol

C26H27ClN2O — CID 67046282

IUPAC1-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]heptan-1-ol
SMILESCCCCCCC(O)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1
InChIInChI=1S/C26H27ClN2O/c1-2-3-4-5-9-25(30)21-8-6-7-20(16-21)22-12-15-26-28-24(18-29(26)17-22)19-10-13-23(27)14-11-19/h6-8,10-18,25,30H,2-5,9H2,1H3
InChIKeyJZTXDXUREYZCFA-UHFFFAOYSA-N
MW418.97 g/mol
LogP7.33
Rot. Bonds8

About 1-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]heptan-1-ol

1-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]heptan-1-ol (PubChem CID 67046282) has the molecular formula C26H27ClN2O and a molecular weight of 418.97 g/mol. Its IUPAC name is 1-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]heptan-1-ol.

Molecular Properties

Compound Name1-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]heptan-1-ol
PubChem CID67046282
Molecular FormulaC26H27ClN2O
Molecular Weight418.97 g/mol
Exact Mass418.18
IUPAC Name1-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]heptan-1-ol
SMILESCCCCCCC(O)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1
InChIInChI=1S/C26H27ClN2O/c1-2-3-4-5-9-25(30)21-8-6-7-20(16-21)22-12-15-26-28-24(18-29(26)17-22)19-10-13-23(27)14-11-19/h6-8,10-18,25,30H,2-5,9H2,1H3
InChIKeyJZTXDXUREYZCFA-UHFFFAOYSA-N
XLogP7.33
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.97
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]heptan-1-ol?
The IUPAC name of 1-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]heptan-1-ol (CID 67046282) is 1-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]heptan-1-ol.
What is the SMILES notation for 1-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]heptan-1-ol?
The canonical SMILES for 1-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]heptan-1-ol is CCCCCCC(O)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1.
What is the InChIKey of 1-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]heptan-1-ol?
The InChIKey is JZTXDXUREYZCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O/c1-2-3-4-5-9-25(30)21-8-6-7-20(16-21)22-12-15-26-28-24(18-29(26)17-22)19-10-13-23(27)14-11-19/h6-8,10-18,25,30H,2-5,9H2,1H3.
What are the key properties of 1-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]heptan-1-ol?
1-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]heptan-1-ol has a molecular weight of 418.97 g/mol, XLogP of 7.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]heptan-1-ol is sourced from PubChem (CID 67046282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).