(Z)-2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile

C14H9N3S — CID 15945251

IUPAC(Z)-2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile
SMILESN#C/C(=C/c1cccs1)c1nc2ccccc2[nH]1
InChIInChI=1S/C14H9N3S/c15-9-10(8-11-4-3-7-18-11)14-16-12-5-1-2-6-13(12)17-14/h1-8H,(H,16,17)/b10-8-
InChIKeyMDVSLHGZTWHJMW-NTMALXAHSA-N
MW251.31 g/mol
LogP3.69
Rot. Bonds2

About (Z)-2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile

(Z)-2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile (PubChem CID 15945251) has the molecular formula C14H9N3S and a molecular weight of 251.31 g/mol. Its IUPAC name is (Z)-2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile
PubChem CID15945251
Molecular FormulaC14H9N3S
Molecular Weight251.31 g/mol
Exact Mass251.05
IUPAC Name(Z)-2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile
SMILESN#C/C(=C/c1cccs1)c1nc2ccccc2[nH]1
InChIInChI=1S/C14H9N3S/c15-9-10(8-11-4-3-7-18-11)14-16-12-5-1-2-6-13(12)17-14/h1-8H,(H,16,17)/b10-8-
InChIKeyMDVSLHGZTWHJMW-NTMALXAHSA-N
XLogP3.69
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile (CID 15945251) is (Z)-2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile is N#C/C(=C/c1cccs1)c1nc2ccccc2[nH]1.
What is the InChIKey of (Z)-2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile?
The InChIKey is MDVSLHGZTWHJMW-NTMALXAHSA-N. The full InChI is InChI=1S/C14H9N3S/c15-9-10(8-11-4-3-7-18-11)14-16-12-5-1-2-6-13(12)17-14/h1-8H,(H,16,17)/b10-8-.
What are the key properties of (Z)-2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile?
(Z)-2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile has a molecular weight of 251.31 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile is sourced from PubChem (CID 15945251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).