3-[2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanenitrile

C18H15N5O — CID 23551435

IUPAC3-[2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanenitrile
SMILESN#CCCn1c(Cn2c(=O)[nH]c3ccccc32)nc2ccccc21
InChIInChI=1S/C18H15N5O/c19-10-5-11-22-15-8-3-1-6-13(15)20-17(22)12-23-16-9-4-2-7-14(16)21-18(23)24/h1-4,6-9H,5,11-12H2,(H,21,24)
InChIKeyZTFAKWHGYFEXQK-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.64
Rot. Bonds4

About 3-[2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanenitrile

3-[2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanenitrile (PubChem CID 23551435) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-[2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanenitrile
PubChem CID23551435
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name3-[2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanenitrile
SMILESN#CCCn1c(Cn2c(=O)[nH]c3ccccc32)nc2ccccc21
InChIInChI=1S/C18H15N5O/c19-10-5-11-22-15-8-3-1-6-13(15)20-17(22)12-23-16-9-4-2-7-14(16)21-18(23)24/h1-4,6-9H,5,11-12H2,(H,21,24)
InChIKeyZTFAKWHGYFEXQK-UHFFFAOYSA-N
XLogP2.64
TPSA79.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanenitrile?
The IUPAC name of 3-[2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanenitrile (CID 23551435) is 3-[2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanenitrile.
What is the SMILES notation for 3-[2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanenitrile?
The canonical SMILES for 3-[2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanenitrile is N#CCCn1c(Cn2c(=O)[nH]c3ccccc32)nc2ccccc21.
What is the InChIKey of 3-[2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanenitrile?
The InChIKey is ZTFAKWHGYFEXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c19-10-5-11-22-15-8-3-1-6-13(15)20-17(22)12-23-16-9-4-2-7-14(16)21-18(23)24/h1-4,6-9H,5,11-12H2,(H,21,24).
What are the key properties of 3-[2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanenitrile?
3-[2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanenitrile has a molecular weight of 317.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanenitrile is sourced from PubChem (CID 23551435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).