2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C14H15N3O2 — CID 72917543

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESc1cc2c(cc1-c1nc3c([nH]1)CNCC3)OCCO2
InChIInChI=1S/C14H15N3O2/c1-2-12-13(19-6-5-18-12)7-9(1)14-16-10-3-4-15-8-11(10)17-14/h1-2,7,15H,3-6,8H2,(H,16,17)
InChIKeyMLDZXABXVKJCGK-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.49
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 72917543) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID72917543
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESc1cc2c(cc1-c1nc3c([nH]1)CNCC3)OCCO2
InChIInChI=1S/C14H15N3O2/c1-2-12-13(19-6-5-18-12)7-9(1)14-16-10-3-4-15-8-11(10)17-14/h1-2,7,15H,3-6,8H2,(H,16,17)
InChIKeyMLDZXABXVKJCGK-UHFFFAOYSA-N
XLogP1.49
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

2-(4-bromo-2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 156786901
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluoro-1H-benzimidazole
CID 115911892
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
2-(3-propoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
CID 154898950
2-[4-(cyclopropylmethoxy)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
CID 154899949
2-(1,3-benzodioxol-5-yl)-1H-imidazole-4,5-dicarboxylic acid
CID 102108395
3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-one
CID 137184532
6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 106515179
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856283
4,7-dioxa-14,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16)-tetraene
CID 82495080
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole
CID 116698435

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 72917543) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is c1cc2c(cc1-c1nc3c([nH]1)CNCC3)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is MLDZXABXVKJCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-12-13(19-6-5-18-12)7-9(1)14-16-10-3-4-15-8-11(10)17-14/h1-2,7,15H,3-6,8H2,(H,16,17).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 257.29 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 72917543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).