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2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole

C22H22N4O2 — CID 58164372

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole
SMILESCCCOc1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3[nH]1)CO2
InChIInChI=1S/C22H22N4O2/c1-2-7-27-18-4-6-21-15(9-18)8-16(13-28-21)22-25-19-5-3-14(10-20(19)26-22)17-11-23-24-12-17/h3-6,9-12,16H,2,7-8,13H2,1H3,(H,23,24)(H,25,26)
InChIKeyZQOAAHUGNGPIMG-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.46
Rot. Bonds5

About 2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole

2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole (PubChem CID 58164372) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole
PubChem CID58164372
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole
SMILESCCCOc1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3[nH]1)CO2
InChIInChI=1S/C22H22N4O2/c1-2-7-27-18-4-6-21-15(9-18)8-16(13-28-21)22-25-19-5-3-14(10-20(19)26-22)17-11-23-24-12-17/h3-6,9-12,16H,2,7-8,13H2,1H3,(H,23,24)(H,25,26)
InChIKeyZQOAAHUGNGPIMG-UHFFFAOYSA-N
XLogP4.46
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole?
The IUPAC name of 2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole (CID 58164372) is 2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole?
The canonical SMILES for 2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole is CCCOc1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3[nH]1)CO2.
What is the InChIKey of 2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole?
The InChIKey is ZQOAAHUGNGPIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-2-7-27-18-4-6-21-15(9-18)8-16(13-28-21)22-25-19-5-3-14(10-20(19)26-22)17-11-23-24-12-17/h3-6,9-12,16H,2,7-8,13H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole?
2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole has a molecular weight of 374.44 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole is sourced from PubChem (CID 58164372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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