2-[[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]methoxymethyl]pyridine

C17H15N3O3 — CID 118342261

IUPAC2-[[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]methoxymethyl]pyridine
SMILESc1ccc(COCc2cn(-c3ccc4c(c3)OCO4)cn2)nc1
InChIInChI=1S/C17H15N3O3/c1-2-6-18-13(3-1)9-21-10-14-8-20(11-19-14)15-4-5-16-17(7-15)23-12-22-16/h1-8,11H,9-10,12H2
InChIKeySQBRQSIKPPLKEY-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.71
Rot. Bonds5

About 2-[[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]methoxymethyl]pyridine

2-[[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]methoxymethyl]pyridine (PubChem CID 118342261) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]methoxymethyl]pyridine.

Molecular Properties

Compound Name2-[[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]methoxymethyl]pyridine
PubChem CID118342261
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name2-[[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]methoxymethyl]pyridine
SMILESc1ccc(COCc2cn(-c3ccc4c(c3)OCO4)cn2)nc1
InChIInChI=1S/C17H15N3O3/c1-2-6-18-13(3-1)9-21-10-14-8-20(11-19-14)15-4-5-16-17(7-15)23-12-22-16/h1-8,11H,9-10,12H2
InChIKeySQBRQSIKPPLKEY-UHFFFAOYSA-N
XLogP2.71
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole
CID 118342199
1-[[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]methyl]-2-nitroimidazole
CID 90810883
1-[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]cyclopropan-1-amine
CID 130469853
2-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]pyridine
CID 141141769
[4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine
CID 63889462
2-[[1-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropyl]piperidin-4-yl]oxymethyl]pyridine
CID 99953756
ethyl (E)-3-[2-butyl-3-[4-(pyridin-2-ylmethoxymethoxy)phenyl]imidazol-4-yl]-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]prop-2-enoate
CID 139766716
2-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]pyridine
CID 50959322
1-[1-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylethyl]piperazine
CID 5224367
1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111845073
1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
CID 121004245
1-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111193848

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]methoxymethyl]pyridine?
The IUPAC name of 2-[[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]methoxymethyl]pyridine (CID 118342261) is 2-[[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]methoxymethyl]pyridine.
What is the SMILES notation for 2-[[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]methoxymethyl]pyridine?
The canonical SMILES for 2-[[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]methoxymethyl]pyridine is c1ccc(COCc2cn(-c3ccc4c(c3)OCO4)cn2)nc1.
What is the InChIKey of 2-[[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]methoxymethyl]pyridine?
The InChIKey is SQBRQSIKPPLKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-2-6-18-13(3-1)9-21-10-14-8-20(11-19-14)15-4-5-16-17(7-15)23-12-22-16/h1-8,11H,9-10,12H2.
What are the key properties of 2-[[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]methoxymethyl]pyridine?
2-[[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]methoxymethyl]pyridine has a molecular weight of 309.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]methoxymethyl]pyridine is sourced from PubChem (CID 118342261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).