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

C22H19ClN2O2 — CID 155557991

IUPAC2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]propane-1,2-diol
SMILESCC(O)(CO)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1
InChIInChI=1S/C22H19ClN2O2/c1-22(27,14-26)18-4-2-3-16(11-18)17-7-10-21-24-20(13-25(21)12-17)15-5-8-19(23)9-6-15/h2-13,26-27H,14H2,1H3
InChIKeyWBPNSDZRIWSJHP-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.52
Rot. Bonds4

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

2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]propane-1,2-diol (PubChem CID 155557991) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]propane-1,2-diol.

Molecular Properties

Compound Name2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]propane-1,2-diol
PubChem CID155557991
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]propane-1,2-diol
SMILESCC(O)(CO)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1
InChIInChI=1S/C22H19ClN2O2/c1-22(27,14-26)18-4-2-3-16(11-18)17-7-10-21-24-20(13-25(21)12-17)15-5-8-19(23)9-6-15/h2-13,26-27H,14H2,1H3
InChIKeyWBPNSDZRIWSJHP-UHFFFAOYSA-N
XLogP4.52
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]propane-1,2-diol?
The IUPAC name of 2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]propane-1,2-diol (CID 155557991) is 2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]propane-1,2-diol.
What is the SMILES notation for 2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]propane-1,2-diol?
The canonical SMILES for 2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]propane-1,2-diol is CC(O)(CO)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1.
What is the InChIKey of 2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]propane-1,2-diol?
The InChIKey is WBPNSDZRIWSJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-22(27,14-26)18-4-2-3-16(11-18)17-7-10-21-24-20(13-25(21)12-17)15-5-8-19(23)9-6-15/h2-13,26-27H,14H2,1H3.
What are the key properties of 2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]propane-1,2-diol?
2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]propane-1,2-diol has a molecular weight of 378.86 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]propane-1,2-diol is sourced from PubChem (CID 155557991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).