(2-butyl-5-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methanol

C18H21N3O — CID 22100403

IUPAC(2-butyl-5-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methanol
SMILESCCCCc1nc2nc(C)c(-c3ccccc3)c(CO)c2[nH]1
InChIInChI=1S/C18H21N3O/c1-3-4-10-15-20-17-14(11-22)16(12(2)19-18(17)21-15)13-8-6-5-7-9-13/h5-9,22H,3-4,10-11H2,1-2H3,(H,19,20,21)
InChIKeyRFOGEIQJMLTUSS-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.77
Rot. Bonds5

About (2-butyl-5-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methanol

(2-butyl-5-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methanol (PubChem CID 22100403) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (2-butyl-5-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methanol.

Molecular Properties

Compound Name(2-butyl-5-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methanol
PubChem CID22100403
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(2-butyl-5-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methanol
SMILESCCCCc1nc2nc(C)c(-c3ccccc3)c(CO)c2[nH]1
InChIInChI=1S/C18H21N3O/c1-3-4-10-15-20-17-14(11-22)16(12(2)19-18(17)21-15)13-8-6-5-7-9-13/h5-9,22H,3-4,10-11H2,1-2H3,(H,19,20,21)
InChIKeyRFOGEIQJMLTUSS-UHFFFAOYSA-N
XLogP3.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-butyl-5-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methanol?
The IUPAC name of (2-butyl-5-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methanol (CID 22100403) is (2-butyl-5-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methanol.
What is the SMILES notation for (2-butyl-5-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methanol?
The canonical SMILES for (2-butyl-5-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methanol is CCCCc1nc2nc(C)c(-c3ccccc3)c(CO)c2[nH]1.
What is the InChIKey of (2-butyl-5-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methanol?
The InChIKey is RFOGEIQJMLTUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-3-4-10-15-20-17-14(11-22)16(12(2)19-18(17)21-15)13-8-6-5-7-9-13/h5-9,22H,3-4,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of (2-butyl-5-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methanol?
(2-butyl-5-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methanol has a molecular weight of 295.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-5-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methanol is sourced from PubChem (CID 22100403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).