2-(2,3-dihydro-1-benzofuran-2-yl)-3H-benzimidazole-5-carbonitrile

C16H11N3O — CID 79004311

IUPAC2-(2,3-dihydro-1-benzofuran-2-yl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(C3Cc4ccccc4O3)[nH]c2c1
InChIInChI=1S/C16H11N3O/c17-9-10-5-6-12-13(7-10)19-16(18-12)15-8-11-3-1-2-4-14(11)20-15/h1-7,15H,8H2,(H,18,19)
InChIKeyYPWQMOXJYNNALK-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.11
Rot. Bonds1

About 2-(2,3-dihydro-1-benzofuran-2-yl)-3H-benzimidazole-5-carbonitrile

2-(2,3-dihydro-1-benzofuran-2-yl)-3H-benzimidazole-5-carbonitrile (PubChem CID 79004311) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-2-yl)-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-2-yl)-3H-benzimidazole-5-carbonitrile
PubChem CID79004311
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name2-(2,3-dihydro-1-benzofuran-2-yl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(C3Cc4ccccc4O3)[nH]c2c1
InChIInChI=1S/C16H11N3O/c17-9-10-5-6-12-13(7-10)19-16(18-12)15-8-11-3-1-2-4-14(11)20-15/h1-7,15H,8H2,(H,18,19)
InChIKeyYPWQMOXJYNNALK-UHFFFAOYSA-N
XLogP3.11
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-yl)-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-yl)-3H-benzimidazole-5-carbonitrile (CID 79004311) is 2-(2,3-dihydro-1-benzofuran-2-yl)-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-2-yl)-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-2-yl)-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(C3Cc4ccccc4O3)[nH]c2c1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-2-yl)-3H-benzimidazole-5-carbonitrile?
The InChIKey is YPWQMOXJYNNALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c17-9-10-5-6-12-13(7-10)19-16(18-12)15-8-11-3-1-2-4-14(11)20-15/h1-7,15H,8H2,(H,18,19).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-2-yl)-3H-benzimidazole-5-carbonitrile?
2-(2,3-dihydro-1-benzofuran-2-yl)-3H-benzimidazole-5-carbonitrile has a molecular weight of 261.28 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 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)-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 79004311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).