2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dimethyl-6-pyridin-4-yl-1H-benzimidazole

C22H19N3O2 — CID 46881888

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dimethyl-6-pyridin-4-yl-1H-benzimidazole
SMILESCc1c(-c2ccncc2)cc2[nH]c(C3COc4ccccc4O3)nc2c1C
InChIInChI=1S/C22H19N3O2/c1-13-14(2)21-17(11-16(13)15-7-9-23-10-8-15)24-22(25-21)20-12-26-18-5-3-4-6-19(18)27-20/h3-11,20H,12H2,1-2H3,(H,24,25)
InChIKeyADDUZZHCDWVPIF-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.75
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dimethyl-6-pyridin-4-yl-1H-benzimidazole

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dimethyl-6-pyridin-4-yl-1H-benzimidazole (PubChem CID 46881888) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dimethyl-6-pyridin-4-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dimethyl-6-pyridin-4-yl-1H-benzimidazole
PubChem CID46881888
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dimethyl-6-pyridin-4-yl-1H-benzimidazole
SMILESCc1c(-c2ccncc2)cc2[nH]c(C3COc4ccccc4O3)nc2c1C
InChIInChI=1S/C22H19N3O2/c1-13-14(2)21-17(11-16(13)15-7-9-23-10-8-15)24-22(25-21)20-12-26-18-5-3-4-6-19(18)27-20/h3-11,20H,12H2,1-2H3,(H,24,25)
InChIKeyADDUZZHCDWVPIF-UHFFFAOYSA-N
XLogP4.75
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.75
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)-4,5-dimethyl-6-pyridin-4-yl-1H-benzimidazole?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dimethyl-6-pyridin-4-yl-1H-benzimidazole (CID 46881888) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dimethyl-6-pyridin-4-yl-1H-benzimidazole.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dimethyl-6-pyridin-4-yl-1H-benzimidazole?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dimethyl-6-pyridin-4-yl-1H-benzimidazole is Cc1c(-c2ccncc2)cc2[nH]c(C3COc4ccccc4O3)nc2c1C.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dimethyl-6-pyridin-4-yl-1H-benzimidazole?
The InChIKey is ADDUZZHCDWVPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-13-14(2)21-17(11-16(13)15-7-9-23-10-8-15)24-22(25-21)20-12-26-18-5-3-4-6-19(18)27-20/h3-11,20H,12H2,1-2H3,(H,24,25).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dimethyl-6-pyridin-4-yl-1H-benzimidazole?
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dimethyl-6-pyridin-4-yl-1H-benzimidazole has a molecular weight of 357.41 g/mol, XLogP of 4.75, 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)-4,5-dimethyl-6-pyridin-4-yl-1H-benzimidazole is sourced from PubChem (CID 46881888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).