2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carbonitrile

C11H9N3O — CID 116836992

IUPAC2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carbonitrile
SMILESN#CC1CC1c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H9N3O/c12-5-7-3-8(7)6-1-2-9-10(4-6)14-11(15)13-9/h1-2,4,7-8H,3H2,(H2,13,14,15)
InChIKeyXISDUUFLFXDCPO-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.48
Rot. Bonds1

About 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carbonitrile

2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carbonitrile (PubChem CID 116836992) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carbonitrile
PubChem CID116836992
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carbonitrile
SMILESN#CC1CC1c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H9N3O/c12-5-7-3-8(7)6-1-2-9-10(4-6)14-11(15)13-9/h1-2,4,7-8H,3H2,(H2,13,14,15)
InChIKeyXISDUUFLFXDCPO-UHFFFAOYSA-N
XLogP1.48
TPSA72.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carbonitrile (CID 116836992) is 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carbonitrile is N#CC1CC1c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carbonitrile?
The InChIKey is XISDUUFLFXDCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-5-7-3-8(7)6-1-2-9-10(4-6)14-11(15)13-9/h1-2,4,7-8H,3H2,(H2,13,14,15).
What are the key properties of 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carbonitrile?
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carbonitrile has a molecular weight of 199.21 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116836992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).