2-(2,5-dimethylfuran-3-yl)-1-methylbenzimidazole-5-carbonitrile

C15H13N3O — CID 65035683

IUPAC2-(2,5-dimethylfuran-3-yl)-1-methylbenzimidazole-5-carbonitrile
SMILESCc1cc(-c2nc3cc(C#N)ccc3n2C)c(C)o1
InChIInChI=1S/C15H13N3O/c1-9-6-12(10(2)19-9)15-17-13-7-11(8-16)4-5-14(13)18(15)3/h4-7H,1-3H3
InChIKeyMXZFRFGAJCQCQJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.32
Rot. Bonds1

About 2-(2,5-dimethylfuran-3-yl)-1-methylbenzimidazole-5-carbonitrile

2-(2,5-dimethylfuran-3-yl)-1-methylbenzimidazole-5-carbonitrile (PubChem CID 65035683) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(2,5-dimethylfuran-3-yl)-1-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2,5-dimethylfuran-3-yl)-1-methylbenzimidazole-5-carbonitrile
PubChem CID65035683
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-(2,5-dimethylfuran-3-yl)-1-methylbenzimidazole-5-carbonitrile
SMILESCc1cc(-c2nc3cc(C#N)ccc3n2C)c(C)o1
InChIInChI=1S/C15H13N3O/c1-9-6-12(10(2)19-9)15-17-13-7-11(8-16)4-5-14(13)18(15)3/h4-7H,1-3H3
InChIKeyMXZFRFGAJCQCQJ-UHFFFAOYSA-N
XLogP3.32
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylfuran-3-yl)-1-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(2,5-dimethylfuran-3-yl)-1-methylbenzimidazole-5-carbonitrile (CID 65035683) is 2-(2,5-dimethylfuran-3-yl)-1-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2,5-dimethylfuran-3-yl)-1-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2,5-dimethylfuran-3-yl)-1-methylbenzimidazole-5-carbonitrile is Cc1cc(-c2nc3cc(C#N)ccc3n2C)c(C)o1.
What is the InChIKey of 2-(2,5-dimethylfuran-3-yl)-1-methylbenzimidazole-5-carbonitrile?
The InChIKey is MXZFRFGAJCQCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-9-6-12(10(2)19-9)15-17-13-7-11(8-16)4-5-14(13)18(15)3/h4-7H,1-3H3.
What are the key properties of 2-(2,5-dimethylfuran-3-yl)-1-methylbenzimidazole-5-carbonitrile?
2-(2,5-dimethylfuran-3-yl)-1-methylbenzimidazole-5-carbonitrile has a molecular weight of 251.29 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylfuran-3-yl)-1-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 65035683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).