2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]-4-methyl-1H-benzimidazole

C20H18N4O2 — CID 56908159

IUPAC2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3cn(C)nc3-c3ccc4c(c3)OCCO4)nc12
InChIInChI=1S/C20H18N4O2/c1-12-4-3-5-15-18(12)22-20(21-15)14-11-24(2)23-19(14)13-6-7-16-17(10-13)26-9-8-25-16/h3-7,10-11H,8-9H2,1-2H3,(H,21,22)
InChIKeyUJMSJXYORYMLOV-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.71
Rot. Bonds2

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

2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]-4-methyl-1H-benzimidazole (PubChem CID 56908159) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]-4-methyl-1H-benzimidazole
PubChem CID56908159
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3cn(C)nc3-c3ccc4c(c3)OCCO4)nc12
InChIInChI=1S/C20H18N4O2/c1-12-4-3-5-15-18(12)22-20(21-15)14-11-24(2)23-19(14)13-6-7-16-17(10-13)26-9-8-25-16/h3-7,10-11H,8-9H2,1-2H3,(H,21,22)
InChIKeyUJMSJXYORYMLOV-UHFFFAOYSA-N
XLogP3.71
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]-4-methyl-1H-benzimidazole with MolForge

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Related Compounds

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N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine
CID 2015821
7-(3,4-Dimethoxyphenyl)-N-1H-indazol-6-ylimidazo[1,2-c]pyrimidin-5-amine
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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]-4-methyl-1H-benzimidazole?
The IUPAC name of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]-4-methyl-1H-benzimidazole (CID 56908159) is 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]-4-methyl-1H-benzimidazole is Cc1cccc2[nH]c(-c3cn(C)nc3-c3ccc4c(c3)OCCO4)nc12.
What is the InChIKey of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]-4-methyl-1H-benzimidazole?
The InChIKey is UJMSJXYORYMLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-12-4-3-5-15-18(12)22-20(21-15)14-11-24(2)23-19(14)13-6-7-16-17(10-13)26-9-8-25-16/h3-7,10-11H,8-9H2,1-2H3,(H,21,22).
What are the key properties of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]-4-methyl-1H-benzimidazole?
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]-4-methyl-1H-benzimidazole has a molecular weight of 346.39 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]-4-methyl-1H-benzimidazole is sourced from PubChem (CID 56908159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).