[3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-2-yl]methanol

C19H19N5O2 — CID 118278135

IUPAC[3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-2-yl]methanol
SMILESCc1c(CO)nc2ccc(OCc3nc(-c4ccccc4)cn3C)nn12
InChIInChI=1S/C19H19N5O2/c1-13-16(11-25)21-17-8-9-19(22-24(13)17)26-12-18-20-15(10-23(18)2)14-6-4-3-5-7-14/h3-10,25H,11-12H2,1-2H3
InChIKeyVKHLKEYBYQANGP-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.51
Rot. Bonds5

About [3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-2-yl]methanol

[3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-2-yl]methanol (PubChem CID 118278135) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is [3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-2-yl]methanol
PubChem CID118278135
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name[3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-2-yl]methanol
SMILESCc1c(CO)nc2ccc(OCc3nc(-c4ccccc4)cn3C)nn12
InChIInChI=1S/C19H19N5O2/c1-13-16(11-25)21-17-8-9-19(22-24(13)17)26-12-18-20-15(10-23(18)2)14-6-4-3-5-7-14/h3-10,25H,11-12H2,1-2H3
InChIKeyVKHLKEYBYQANGP-UHFFFAOYSA-N
XLogP2.51
TPSA77.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-2-yl]methanol?
The IUPAC name of [3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-2-yl]methanol (CID 118278135) is [3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-2-yl]methanol.
What is the SMILES notation for [3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-2-yl]methanol?
The canonical SMILES for [3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-2-yl]methanol is Cc1c(CO)nc2ccc(OCc3nc(-c4ccccc4)cn3C)nn12.
What is the InChIKey of [3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-2-yl]methanol?
The InChIKey is VKHLKEYBYQANGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-16(11-25)21-17-8-9-19(22-24(13)17)26-12-18-20-15(10-23(18)2)14-6-4-3-5-7-14/h3-10,25H,11-12H2,1-2H3.
What are the key properties of [3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-2-yl]methanol?
[3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-2-yl]methanol has a molecular weight of 349.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-2-yl]methanol is sourced from PubChem (CID 118278135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).