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

C14H15N3O2 — CID 64856283

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1cc2c(cc1-n1cnc3c1CCNC3)OCCO2
InChIInChI=1S/C14H15N3O2/c1-2-13-14(19-6-5-18-13)7-10(1)17-9-16-11-8-15-4-3-12(11)17/h1-2,7,9,15H,3-6,8H2
InChIKeyJWPNYVQYWCJVCY-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.29
Rot. Bonds1

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

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64856283) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64856283
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1cc2c(cc1-n1cnc3c1CCNC3)OCCO2
InChIInChI=1S/C14H15N3O2/c1-2-13-14(19-6-5-18-13)7-10(1)17-9-16-11-8-15-4-3-12(11)17/h1-2,7,9,15H,3-6,8H2
InChIKeyJWPNYVQYWCJVCY-UHFFFAOYSA-N
XLogP1.29
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856269
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
3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole
CID 63384779
1-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856288
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 72917543
6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-one
CID 175857279
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazole-2-thione
CID 81334546
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 156875675
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 5140117
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79273431
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[5-(dimethylamino)-3-pyridinyl]sulfanyl]-6-methylpyrimidin-4-one
CID 71190943

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64856283) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is c1cc2c(cc1-n1cnc3c1CCNC3)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is JWPNYVQYWCJVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-13-14(19-6-5-18-13)7-10(1)17-9-16-11-8-15-4-3-12(11)17/h1-2,7,9,15H,3-6,8H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 257.29 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64856283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).