3-[[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]methyl]pyridine

C19H19N3O2 — CID 56751275

IUPAC3-[[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]methyl]pyridine
SMILESCC(Cc1ccc2c(c1)OCO2)c1nccn1Cc1cccnc1
InChIInChI=1S/C19H19N3O2/c1-14(9-15-4-5-17-18(10-15)24-13-23-17)19-21-7-8-22(19)12-16-3-2-6-20-11-16/h2-8,10-11,14H,9,12-13H2,1H3
InChIKeyGFJBKCMGFHENHS-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.40
Rot. Bonds5

About 3-[[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]methyl]pyridine

3-[[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]methyl]pyridine (PubChem CID 56751275) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]methyl]pyridine
PubChem CID56751275
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-[[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]methyl]pyridine
SMILESCC(Cc1ccc2c(c1)OCO2)c1nccn1Cc1cccnc1
InChIInChI=1S/C19H19N3O2/c1-14(9-15-4-5-17-18(10-15)24-13-23-17)19-21-7-8-22(19)12-16-3-2-6-20-11-16/h2-8,10-11,14H,9,12-13H2,1H3
InChIKeyGFJBKCMGFHENHS-UHFFFAOYSA-N
XLogP3.40
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(furan-3-ylmethyl)imidazole
CID 95209576
2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-imidazol-1-ylpropyl)imidazole
CID 95205234
2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]-N,N-dimethylethanesulfonamide
CID 70723748
3-(1,3-benzodioxol-5-ylmethyl)pyridine
CID 173231937
6-[2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]quinoxaline
CID 95559962
1-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazole
CID 45097499
2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(1,3-dihydro-2-benzofuran-5-yl)imidazole
CID 138383889
2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide
CID 99926874
2-(1,3-benzodioxol-5-yl)ethyl-(pyridin-3-ylmethyl)azanium
CID 6997529
1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60896071
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(pyridin-3-ylmethyl)piperazine
CID 113074190

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]methyl]pyridine?
The IUPAC name of 3-[[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]methyl]pyridine (CID 56751275) is 3-[[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]methyl]pyridine is CC(Cc1ccc2c(c1)OCO2)c1nccn1Cc1cccnc1.
What is the InChIKey of 3-[[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]methyl]pyridine?
The InChIKey is GFJBKCMGFHENHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14(9-15-4-5-17-18(10-15)24-13-23-17)19-21-7-8-22(19)12-16-3-2-6-20-11-16/h2-8,10-11,14H,9,12-13H2,1H3.
What are the key properties of 3-[[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]methyl]pyridine?
3-[[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]methyl]pyridine has a molecular weight of 321.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]methyl]pyridine is sourced from PubChem (CID 56751275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).