2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole

C21H17N3O2 — CID 46881886

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole
SMILESCc1cc(-c2ccncc2)cc2[nH]c(C3COc4ccccc4O3)nc12
InChIInChI=1S/C21H17N3O2/c1-13-10-15(14-6-8-22-9-7-14)11-16-20(13)24-21(23-16)19-12-25-17-4-2-3-5-18(17)26-19/h2-11,19H,12H2,1H3,(H,23,24)
InChIKeyKFPKDUCXKUGLED-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.45
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole (PubChem CID 46881886) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole
PubChem CID46881886
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole
SMILESCc1cc(-c2ccncc2)cc2[nH]c(C3COc4ccccc4O3)nc12
InChIInChI=1S/C21H17N3O2/c1-13-10-15(14-6-8-22-9-7-14)11-16-20(13)24-21(23-16)19-12-25-17-4-2-3-5-18(17)26-19/h2-11,19H,12H2,1H3,(H,23,24)
InChIKeyKFPKDUCXKUGLED-UHFFFAOYSA-N
XLogP4.45
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole (CID 46881886) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole is Cc1cc(-c2ccncc2)cc2[nH]c(C3COc4ccccc4O3)nc12.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole?
The InChIKey is KFPKDUCXKUGLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-13-10-15(14-6-8-22-9-7-14)11-16-20(13)24-21(23-16)19-12-25-17-4-2-3-5-18(17)26-19/h2-11,19H,12H2,1H3,(H,23,24).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole?
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole has a molecular weight of 343.39 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole is sourced from PubChem (CID 46881886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).