2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenol

C20H16BrN3O — CID 3254907

IUPAC2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenol
SMILESOc1ccccc1-c1nc2ccc(Br)cn2c1NCc1ccccc1
InChIInChI=1S/C20H16BrN3O/c21-15-10-11-18-23-19(16-8-4-5-9-17(16)25)20(24(18)13-15)22-12-14-6-2-1-3-7-14/h1-11,13,22,25H,12H2
InChIKeyOKEPQBRHJIVNDA-UHFFFAOYSA-N
MW394.27 g/mol
LogP5.08
Rot. Bonds4

About 2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenol

2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 3254907) has the molecular formula C20H16BrN3O and a molecular weight of 394.27 g/mol. Its IUPAC name is 2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID3254907
Molecular FormulaC20H16BrN3O
Molecular Weight394.27 g/mol
Exact Mass393.05
IUPAC Name2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenol
SMILESOc1ccccc1-c1nc2ccc(Br)cn2c1NCc1ccccc1
InChIInChI=1S/C20H16BrN3O/c21-15-10-11-18-23-19(16-8-4-5-9-17(16)25)20(24(18)13-15)22-12-14-6-2-1-3-7-14/h1-11,13,22,25H,12H2
InChIKeyOKEPQBRHJIVNDA-UHFFFAOYSA-N
XLogP5.08
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.27
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Benzylimidazol-4-yl)phenol
CID 2806275
2-(((1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)amino)methyl)phenol
CID 1090110
4-{2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl}phenol
CID 15897928
Antiproliferative agent-14
CID 86280647
2-({[5-(3-bromophenyl)-1-methyl-1H-imidazol-2-yl]amino}methyl)phenol
CID 1096475
2-{3-[(2,6-Dimethylphenyl)amino]imidazo[1,2-a]pyrimidin-2-yl}phenol
CID 15990343
4-Imidazo[1,2-a]pyridin-2-yl-phenol
CID 16682232
4-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 856590
4-[6-Bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol
CID 1154287
4-[[5-(4-Fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol
CID 11347754
EAPB-0503 metabolite M'5
CID 44224744
4-[3-[4-(Dimethylamino)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenol
CID 117769710

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenol (CID 3254907) is 2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenol is Oc1ccccc1-c1nc2ccc(Br)cn2c1NCc1ccccc1.
What is the InChIKey of 2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is OKEPQBRHJIVNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O/c21-15-10-11-18-23-19(16-8-4-5-9-17(16)25)20(24(18)13-15)22-12-14-6-2-1-3-7-14/h1-11,13,22,25H,12H2.
What are the key properties of 2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenol?
2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 394.27 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 3254907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).