2-[4-(6-bromo-2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanol

C19H22BrN3O — CID 174452528

IUPAC2-[4-(6-bromo-2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanol
SMILESCCCCc1nc2cc(Br)c(C)nc2n1-c1ccc(CCO)cc1
InChIInChI=1S/C19H22BrN3O/c1-3-4-5-18-22-17-12-16(20)13(2)21-19(17)23(18)15-8-6-14(7-9-15)10-11-24/h6-9,12,24H,3-5,10-11H2,1-2H3
InChIKeyCMTMMPGTZQZNOK-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.37
Rot. Bonds6

About 2-[4-(6-bromo-2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanol

2-[4-(6-bromo-2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanol (PubChem CID 174452528) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is 2-[4-(6-bromo-2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(6-bromo-2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanol
PubChem CID174452528
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC Name2-[4-(6-bromo-2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanol
SMILESCCCCc1nc2cc(Br)c(C)nc2n1-c1ccc(CCO)cc1
InChIInChI=1S/C19H22BrN3O/c1-3-4-5-18-22-17-12-16(20)13(2)21-19(17)23(18)15-8-6-14(7-9-15)10-11-24/h6-9,12,24H,3-5,10-11H2,1-2H3
InChIKeyCMTMMPGTZQZNOK-UHFFFAOYSA-N
XLogP4.37
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 51360723
CID 51360723
CID 51360724
CID 51360724
CID 51360726
CID 51360726
CID 51360751
CID 51360751
CID 53299766
CID 53299766
CID 21300405
CID 21300405
CID 21875748
CID 21875748
CID 21875862
CID 21875862
CID 21876232
CID 21876232
CID 21876334
CID 21876334
CID 70920240
CID 70920240
CID 122621914
CID 122621914

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-bromo-2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanol?
The IUPAC name of 2-[4-(6-bromo-2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanol (CID 174452528) is 2-[4-(6-bromo-2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanol.
What is the SMILES notation for 2-[4-(6-bromo-2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanol?
The canonical SMILES for 2-[4-(6-bromo-2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanol is CCCCc1nc2cc(Br)c(C)nc2n1-c1ccc(CCO)cc1.
What is the InChIKey of 2-[4-(6-bromo-2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanol?
The InChIKey is CMTMMPGTZQZNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c1-3-4-5-18-22-17-12-16(20)13(2)21-19(17)23(18)15-8-6-14(7-9-15)10-11-24/h6-9,12,24H,3-5,10-11H2,1-2H3.
What are the key properties of 2-[4-(6-bromo-2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanol?
2-[4-(6-bromo-2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanol has a molecular weight of 388.31 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-bromo-2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanol is sourced from PubChem (CID 174452528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).