1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azetidin-3-yl]benzimidazole

C19H19N3O2 — CID 139028177

IUPAC1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azetidin-3-yl]benzimidazole
SMILESc1ccc2c(c1)ncn2C1CN(Cc2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C19H19N3O2/c1-2-4-17-16(3-1)20-13-22(17)15-11-21(12-15)10-14-5-6-18-19(9-14)24-8-7-23-18/h1-6,9,13,15H,7-8,10-12H2
InChIKeyAPCIMZLNBOXVEP-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.86
Rot. Bonds3

About 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azetidin-3-yl]benzimidazole

1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azetidin-3-yl]benzimidazole (PubChem CID 139028177) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azetidin-3-yl]benzimidazole.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azetidin-3-yl]benzimidazole
PubChem CID139028177
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azetidin-3-yl]benzimidazole
SMILESc1ccc2c(c1)ncn2C1CN(Cc2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C19H19N3O2/c1-2-4-17-16(3-1)20-13-22(17)15-11-21(12-15)10-14-5-6-18-19(9-14)24-8-7-23-18/h1-6,9,13,15H,7-8,10-12H2
InChIKeyAPCIMZLNBOXVEP-UHFFFAOYSA-N
XLogP2.86
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azetidin-3-yl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,5S)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(pyridin-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 133125844
1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-4-phenylpiperazine
CID 92671940
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-4-(2-fluorophenyl)piperazine
CID 45199577
(1S,5R)-7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135091796
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-methylphenyl)piperazine
CID 4997131
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-4-carbonitrile
CID 119103462
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzimidazole
CID 6473069
N-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95139694
(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 95304496
(8aR)-2-cyclohexyl-7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537134
1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,6-dimethylbenzimidazole
CID 30743968
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-(methoxymethyl)imidazo[4,5-b]pyridine
CID 42420359

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azetidin-3-yl]benzimidazole?
The IUPAC name of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azetidin-3-yl]benzimidazole (CID 139028177) is 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azetidin-3-yl]benzimidazole.
What is the SMILES notation for 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azetidin-3-yl]benzimidazole?
The canonical SMILES for 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azetidin-3-yl]benzimidazole is c1ccc2c(c1)ncn2C1CN(Cc2ccc3c(c2)OCCO3)C1.
What is the InChIKey of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azetidin-3-yl]benzimidazole?
The InChIKey is APCIMZLNBOXVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-4-17-16(3-1)20-13-22(17)15-11-21(12-15)10-14-5-6-18-19(9-14)24-8-7-23-18/h1-6,9,13,15H,7-8,10-12H2.
What are the key properties of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azetidin-3-yl]benzimidazole?
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azetidin-3-yl]benzimidazole has a molecular weight of 321.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azetidin-3-yl]benzimidazole is sourced from PubChem (CID 139028177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).