3-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]propanenitrile

C13H13N5O — CID 116980277

IUPAC3-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]propanenitrile
SMILESN#CCCN1CC(c2ccc3nc[nH]c3c2)NC1=O
InChIInChI=1S/C13H13N5O/c14-4-1-5-18-7-12(17-13(18)19)9-2-3-10-11(6-9)16-8-15-10/h2-3,6,8,12H,1,5,7H2,(H,15,16)(H,17,19)
InChIKeyBNRALTRCNXRVFS-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.54
Rot. Bonds3

About 3-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]propanenitrile

3-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]propanenitrile (PubChem CID 116980277) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]propanenitrile
PubChem CID116980277
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name3-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]propanenitrile
SMILESN#CCCN1CC(c2ccc3nc[nH]c3c2)NC1=O
InChIInChI=1S/C13H13N5O/c14-4-1-5-18-7-12(17-13(18)19)9-2-3-10-11(6-9)16-8-15-10/h2-3,6,8,12H,1,5,7H2,(H,15,16)(H,17,19)
InChIKeyBNRALTRCNXRVFS-UHFFFAOYSA-N
XLogP1.54
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]propanenitrile 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 3-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]propanenitrile (CID 116980277) is 3-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]propanenitrile is N#CCCN1CC(c2ccc3nc[nH]c3c2)NC1=O.
What is the InChIKey of 3-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]propanenitrile?
The InChIKey is BNRALTRCNXRVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c14-4-1-5-18-7-12(17-13(18)19)9-2-3-10-11(6-9)16-8-15-10/h2-3,6,8,12H,1,5,7H2,(H,15,16)(H,17,19).
What are the key properties of 3-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]propanenitrile?
3-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]propanenitrile has a molecular weight of 255.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]propanenitrile is sourced from PubChem (CID 116980277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).