2-[6-bromo-3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol

C21H18BrN3O2 — CID 127029849

IUPAC2-[6-bromo-3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCOc1ccc(CNc2c(-c3ccccc3O)nc3ccc(Br)cn23)cc1
InChIInChI=1S/C21H18BrN3O2/c1-27-16-9-6-14(7-10-16)12-23-21-20(17-4-2-3-5-18(17)26)24-19-11-8-15(22)13-25(19)21/h2-11,13,23,26H,12H2,1H3
InChIKeyHKFGTRWTMQYJOL-UHFFFAOYSA-N
MW424.30 g/mol
LogP5.09
Rot. Bonds5

About 2-[6-bromo-3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol

2-[6-bromo-3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 127029849) has the molecular formula C21H18BrN3O2 and a molecular weight of 424.30 g/mol. Its IUPAC name is 2-[6-bromo-3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-[6-bromo-3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID127029849
Molecular FormulaC21H18BrN3O2
Molecular Weight424.30 g/mol
Exact Mass423.06
IUPAC Name2-[6-bromo-3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCOc1ccc(CNc2c(-c3ccccc3O)nc3ccc(Br)cn23)cc1
InChIInChI=1S/C21H18BrN3O2/c1-27-16-9-6-14(7-10-16)12-23-21-20(17-4-2-3-5-18(17)26)24-19-11-8-15(22)13-25(19)21/h2-11,13,23,26H,12H2,1H3
InChIKeyHKFGTRWTMQYJOL-UHFFFAOYSA-N
XLogP5.09
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.30
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 2-[6-bromo-3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol (CID 127029849) is 2-[6-bromo-3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 2-[6-bromo-3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 2-[6-bromo-3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol is COc1ccc(CNc2c(-c3ccccc3O)nc3ccc(Br)cn23)cc1.
What is the InChIKey of 2-[6-bromo-3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is HKFGTRWTMQYJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O2/c1-27-16-9-6-14(7-10-16)12-23-21-20(17-4-2-3-5-18(17)26)24-19-11-8-15(22)13-25(19)21/h2-11,13,23,26H,12H2,1H3.
What are the key properties of 2-[6-bromo-3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
2-[6-bromo-3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 424.30 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 127029849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).