2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenol

C21H19N3O — CID 809543

IUPAC2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenol
SMILESCc1ccn2c(NCc3ccccc3)c(-c3ccccc3O)nc2c1
InChIInChI=1S/C21H19N3O/c1-15-11-12-24-19(13-15)23-20(17-9-5-6-10-18(17)25)21(24)22-14-16-7-3-2-4-8-16/h2-13,22,25H,14H2,1H3
InChIKeyOKHVSPUBZBFHNI-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.63
Rot. Bonds4

About 2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenol

2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 809543) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID809543
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenol
SMILESCc1ccn2c(NCc3ccccc3)c(-c3ccccc3O)nc2c1
InChIInChI=1S/C21H19N3O/c1-15-11-12-24-19(13-15)23-20(17-9-5-6-10-18(17)25)21(24)22-14-16-7-3-2-4-8-16/h2-13,22,25H,14H2,1H3
InChIKeyOKHVSPUBZBFHNI-UHFFFAOYSA-N
XLogP4.63
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenol (CID 809543) is 2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenol is Cc1ccn2c(NCc3ccccc3)c(-c3ccccc3O)nc2c1.
What is the InChIKey of 2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is OKHVSPUBZBFHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-15-11-12-24-19(13-15)23-20(17-9-5-6-10-18(17)25)21(24)22-14-16-7-3-2-4-8-16/h2-13,22,25H,14H2,1H3.
What are the key properties of 2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenol?
2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 329.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 809543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).