(E)-2-(1H-benzimidazol-2-yl)-3-(6-thiophen-3-yl-2-pyridinyl)prop-2-enenitrile

C19H12N4S — CID 110170086

IUPAC(E)-2-(1H-benzimidazol-2-yl)-3-(6-thiophen-3-yl-2-pyridinyl)prop-2-enenitrile
SMILESN#C/C(=C\c1cccc(-c2ccsc2)n1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H12N4S/c20-11-14(19-22-17-5-1-2-6-18(17)23-19)10-15-4-3-7-16(21-15)13-8-9-24-12-13/h1-10,12H,(H,22,23)/b14-10+
InChIKeySWWQPWHFMNZJHQ-GXDHUFHOSA-N
MW328.40 g/mol
LogP4.75
Rot. Bonds3

About (E)-2-(1H-benzimidazol-2-yl)-3-(6-thiophen-3-yl-2-pyridinyl)prop-2-enenitrile

(E)-2-(1H-benzimidazol-2-yl)-3-(6-thiophen-3-yl-2-pyridinyl)prop-2-enenitrile (PubChem CID 110170086) has the molecular formula C19H12N4S and a molecular weight of 328.40 g/mol. Its IUPAC name is (E)-2-(1H-benzimidazol-2-yl)-3-(6-thiophen-3-yl-2-pyridinyl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-(1H-benzimidazol-2-yl)-3-(6-thiophen-3-yl-2-pyridinyl)prop-2-enenitrile
PubChem CID110170086
Molecular FormulaC19H12N4S
Molecular Weight328.40 g/mol
Exact Mass328.08
IUPAC Name(E)-2-(1H-benzimidazol-2-yl)-3-(6-thiophen-3-yl-2-pyridinyl)prop-2-enenitrile
SMILESN#C/C(=C\c1cccc(-c2ccsc2)n1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H12N4S/c20-11-14(19-22-17-5-1-2-6-18(17)23-19)10-15-4-3-7-16(21-15)13-8-9-24-12-13/h1-10,12H,(H,22,23)/b14-10+
InChIKeySWWQPWHFMNZJHQ-GXDHUFHOSA-N
XLogP4.75
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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(E)-2-(1H-benzimidazol-2-yl)-3-(3-thiophen-2-ylphenyl)prop-2-enenitrile
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(Z)-2-(1H-benzimidazol-2-yl)-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-enenitrile
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(E)-2-(1H-benzimidazol-2-yl)-3-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)prop-2-enenitrile
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Frequently Asked Questions

What is the IUPAC name of (E)-2-(1H-benzimidazol-2-yl)-3-(6-thiophen-3-yl-2-pyridinyl)prop-2-enenitrile?
The IUPAC name of (E)-2-(1H-benzimidazol-2-yl)-3-(6-thiophen-3-yl-2-pyridinyl)prop-2-enenitrile (CID 110170086) is (E)-2-(1H-benzimidazol-2-yl)-3-(6-thiophen-3-yl-2-pyridinyl)prop-2-enenitrile.
What is the SMILES notation for (E)-2-(1H-benzimidazol-2-yl)-3-(6-thiophen-3-yl-2-pyridinyl)prop-2-enenitrile?
The canonical SMILES for (E)-2-(1H-benzimidazol-2-yl)-3-(6-thiophen-3-yl-2-pyridinyl)prop-2-enenitrile is N#C/C(=C\c1cccc(-c2ccsc2)n1)c1nc2ccccc2[nH]1.
What is the InChIKey of (E)-2-(1H-benzimidazol-2-yl)-3-(6-thiophen-3-yl-2-pyridinyl)prop-2-enenitrile?
The InChIKey is SWWQPWHFMNZJHQ-GXDHUFHOSA-N. The full InChI is InChI=1S/C19H12N4S/c20-11-14(19-22-17-5-1-2-6-18(17)23-19)10-15-4-3-7-16(21-15)13-8-9-24-12-13/h1-10,12H,(H,22,23)/b14-10+.
What are the key properties of (E)-2-(1H-benzimidazol-2-yl)-3-(6-thiophen-3-yl-2-pyridinyl)prop-2-enenitrile?
(E)-2-(1H-benzimidazol-2-yl)-3-(6-thiophen-3-yl-2-pyridinyl)prop-2-enenitrile has a molecular weight of 328.40 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1H-benzimidazol-2-yl)-3-(6-thiophen-3-yl-2-pyridinyl)prop-2-enenitrile is sourced from PubChem (CID 110170086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).