3-(1,3-benzodioxol-5-yl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C18H15N3O2 — CID 10946675

IUPAC3-(1,3-benzodioxol-5-yl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1ccc(-c2nc3n(c2-c2ccc4c(c2)OCO4)CCC3)nc1
InChIInChI=1S/C18H15N3O2/c1-2-8-19-13(4-1)17-18(21-9-3-5-16(21)20-17)12-6-7-14-15(10-12)23-11-22-14/h1-2,4,6-8,10H,3,5,9,11H2
InChIKeyMUYFXUIFVHSJSW-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.29
Rot. Bonds2

About 3-(1,3-benzodioxol-5-yl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

3-(1,3-benzodioxol-5-yl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 10946675) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID10946675
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name3-(1,3-benzodioxol-5-yl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1ccc(-c2nc3n(c2-c2ccc4c(c2)OCO4)CCC3)nc1
InChIInChI=1S/C18H15N3O2/c1-2-8-19-13(4-1)17-18(21-9-3-5-16(21)20-17)12-6-7-14-15(10-12)23-11-22-14/h1-2,4,6-8,10H,3,5,9,11H2
InChIKeyMUYFXUIFVHSJSW-UHFFFAOYSA-N
XLogP3.29
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 10946675) is 3-(1,3-benzodioxol-5-yl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is c1ccc(-c2nc3n(c2-c2ccc4c(c2)OCO4)CCC3)nc1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is MUYFXUIFVHSJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-2-8-19-13(4-1)17-18(21-9-3-5-16(21)20-17)12-6-7-14-15(10-12)23-11-22-14/h1-2,4,6-8,10H,3,5,9,11H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
3-(1,3-benzodioxol-5-yl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 305.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 10946675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).