1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C13H13N3O2 — CID 64856269

IUPAC1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1cc2c(cc1-n1cnc3c1CCNC3)OCO2
InChIInChI=1S/C13H13N3O2/c1-2-12-13(18-8-17-12)5-9(1)16-7-15-10-6-14-4-3-11(10)16/h1-2,5,7,14H,3-4,6,8H2
InChIKeyHMECBGBHCNKTGU-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.25
Rot. Bonds1

About 1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64856269) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64856269
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1cc2c(cc1-n1cnc3c1CCNC3)OCO2
InChIInChI=1S/C13H13N3O2/c1-2-12-13(18-8-17-12)5-9(1)16-7-15-10-6-14-4-3-11(10)16/h1-2,5,7,14H,3-4,6,8H2
InChIKeyHMECBGBHCNKTGU-UHFFFAOYSA-N
XLogP1.25
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856283
N,N-dimethyl-4-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)aniline
CID 64853991
1-(4-ethylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64855909
1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941461
1-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856288
3-(1,3-benzodioxol-5-yl)-1-piperidin-4-yl-6,7-dihydro-5H-indazol-4-one
CID 110458665
1-(1,3-benzodioxol-5-yl)piperidin-4-one
CID 2728521
3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one
CID 7749326
1-(1,3-benzodioxol-5-yl)-3-methylpiperazine
CID 64924040
1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole
CID 82133808
1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942361
4-(1,3-benzodioxol-5-yl)-1H-pyrazine-2,3-dione
CID 46506801

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64856269) is 1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is c1cc2c(cc1-n1cnc3c1CCNC3)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is HMECBGBHCNKTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-2-12-13(18-8-17-12)5-9(1)16-7-15-10-6-14-4-3-11(10)16/h1-2,5,7,14H,3-4,6,8H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 243.27 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64856269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).