2-(1H-benzimidazol-2-yl)-3-quinolin-2-ylprop-2-enenitrile

C19H12N4 — CID 4897205

IUPAC2-(1H-benzimidazol-2-yl)-3-quinolin-2-ylprop-2-enenitrile
SMILESN#CC(=Cc1ccc2ccccc2n1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H12N4/c20-12-14(19-22-17-7-3-4-8-18(17)23-19)11-15-10-9-13-5-1-2-6-16(13)21-15/h1-11H,(H,22,23)
InChIKeyCWRSKDLJKSLYJW-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.18
Rot. Bonds2

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

2-(1H-benzimidazol-2-yl)-3-quinolin-2-ylprop-2-enenitrile (PubChem CID 4897205) has the molecular formula C19H12N4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-3-quinolin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-3-quinolin-2-ylprop-2-enenitrile
PubChem CID4897205
Molecular FormulaC19H12N4
Molecular Weight296.33 g/mol
Exact Mass296.11
IUPAC Name2-(1H-benzimidazol-2-yl)-3-quinolin-2-ylprop-2-enenitrile
SMILESN#CC(=Cc1ccc2ccccc2n1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H12N4/c20-12-14(19-22-17-7-3-4-8-18(17)23-19)11-15-10-9-13-5-1-2-6-16(13)21-15/h1-11H,(H,22,23)
InChIKeyCWRSKDLJKSLYJW-UHFFFAOYSA-N
XLogP4.18
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.18
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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Related Compounds

2-(1H-benzimidazol-2-yl)-3-hydroxyprop-2-enenitrile
CID 903305
(E)-2-phenyl-3-quinolin-2-ylprop-2-enenitrile
CID 170857761
4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzonitrile
CID 3149504
2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile
CID 2789977
(Z)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile
CID 21230617
2-(1H-benzimidazol-2-yl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile
CID 3149509
(E)-2-(1H-benzimidazol-2-yl)-3-(6-thiophen-3-yl-2-pyridinyl)prop-2-enenitrile
CID 110170086
2-(1H-benzimidazol-2-yl)-3-(2-methyl-1H-indol-3-yl)prop-2-enenitrile
CID 3136514
2-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile
CID 2858074
(Z)-2-(1H-benzimidazol-2-yl)-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-enenitrile
CID 135482391
(E)-2-(1H-benzimidazol-2-yl)-3-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)prop-2-enenitrile
CID 135699262
2-(1H-benzimidazol-2-yl)-3-quinoxalin-6-ylprop-2-enenitrile
CID 4897168

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-3-quinolin-2-ylprop-2-enenitrile?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-3-quinolin-2-ylprop-2-enenitrile (CID 4897205) is 2-(1H-benzimidazol-2-yl)-3-quinolin-2-ylprop-2-enenitrile.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-3-quinolin-2-ylprop-2-enenitrile?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-3-quinolin-2-ylprop-2-enenitrile is N#CC(=Cc1ccc2ccccc2n1)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-3-quinolin-2-ylprop-2-enenitrile?
The InChIKey is CWRSKDLJKSLYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4/c20-12-14(19-22-17-7-3-4-8-18(17)23-19)11-15-10-9-13-5-1-2-6-16(13)21-15/h1-11H,(H,22,23).
What are the key properties of 2-(1H-benzimidazol-2-yl)-3-quinolin-2-ylprop-2-enenitrile?
2-(1H-benzimidazol-2-yl)-3-quinolin-2-ylprop-2-enenitrile has a molecular weight of 296.33 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-3-quinolin-2-ylprop-2-enenitrile is sourced from PubChem (CID 4897205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).