2-(6-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C12H13N3O — CID 126832344

IUPAC2-(6-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOc1ccc(-c2cn3c(n2)CCC3)cn1
InChIInChI=1S/C12H13N3O/c1-16-12-5-4-9(7-13-12)10-8-15-6-2-3-11(15)14-10/h4-5,7-8H,2-3,6H2,1H3
InChIKeyDKPKUSCFKWFBOO-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.90
Rot. Bonds2

About 2-(6-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

2-(6-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 126832344) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID126832344
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-(6-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOc1ccc(-c2cn3c(n2)CCC3)cn1
InChIInChI=1S/C12H13N3O/c1-16-12-5-4-9(7-13-12)10-8-15-6-2-3-11(15)14-10/h4-5,7-8H,2-3,6H2,1H3
InChIKeyDKPKUSCFKWFBOO-UHFFFAOYSA-N
XLogP1.90
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrobromide
CID 44789328
2-(4-methylsulfanylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 54458815
2-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole bromide
CID 21179342
ethane;2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;1-methoxy-4-(methoxymethyl)benzene
CID 142175760
2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 82117431
2-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 83218637
2-(4-ethynylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 177207982
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547
4-(6-methoxy-3-pyridinyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-one
CID 118152407
heptane;6-(6-methoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline
CID 145090879
N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4,5-dimethylbenzamide
CID 153380256
5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine
CID 89491323

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 126832344) is 2-(6-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is COc1ccc(-c2cn3c(n2)CCC3)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is DKPKUSCFKWFBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-16-12-5-4-9(7-13-12)10-8-15-6-2-3-11(15)14-10/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 2-(6-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
2-(6-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 215.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 126832344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).