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

C18H14N4O — CID 58164370

IUPAC2-(2,3-dihydro-1-benzofuran-2-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole
SMILESc1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3[nH]1)O2
InChIInChI=1S/C18H14N4O/c1-2-4-16-12(3-1)8-17(23-16)18-21-14-6-5-11(7-15(14)22-18)13-9-19-20-10-13/h1-7,9-10,17H,8H2,(H,19,20)(H,21,22)
InChIKeyMDMBYFMIJYNLLC-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.63
Rot. Bonds2

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

2-(2,3-dihydro-1-benzofuran-2-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole (PubChem CID 58164370) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-2-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-2-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole
PubChem CID58164370
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name2-(2,3-dihydro-1-benzofuran-2-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole
SMILESc1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3[nH]1)O2
InChIInChI=1S/C18H14N4O/c1-2-4-16-12(3-1)8-17(23-16)18-21-14-6-5-11(7-15(14)22-18)13-9-19-20-10-13/h1-7,9-10,17H,8H2,(H,19,20)(H,21,22)
InChIKeyMDMBYFMIJYNLLC-UHFFFAOYSA-N
XLogP3.63
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydro-1-benzofuran-2-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole (CID 58164370) is 2-(2,3-dihydro-1-benzofuran-2-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-2-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-2-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole is c1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3[nH]1)O2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-2-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole?
The InChIKey is MDMBYFMIJYNLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-2-4-16-12(3-1)8-17(23-16)18-21-14-6-5-11(7-15(14)22-18)13-9-19-20-10-13/h1-7,9-10,17H,8H2,(H,19,20)(H,21,22).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-2-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole?
2-(2,3-dihydro-1-benzofuran-2-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole has a molecular weight of 302.34 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-2-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole is sourced from PubChem (CID 58164370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).