2-[[4-(1-benzofuran-2-carbonyl)phenyl]hydrazinylidene]propanedinitrile

C18H10N4O2 — CID 169339945

IUPAC2-[[4-(1-benzofuran-2-carbonyl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(C(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H10N4O2/c19-10-15(11-20)22-21-14-7-5-12(6-8-14)18(23)17-9-13-3-1-2-4-16(13)24-17/h1-9,21H
InChIKeyHQAWAOGLLGCTDJ-UHFFFAOYSA-N
MW314.30 g/mol
LogP3.48
Rot. Bonds4

About 2-[[4-(1-benzofuran-2-carbonyl)phenyl]hydrazinylidene]propanedinitrile

2-[[4-(1-benzofuran-2-carbonyl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169339945) has the molecular formula C18H10N4O2 and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-[[4-(1-benzofuran-2-carbonyl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[4-(1-benzofuran-2-carbonyl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169339945
Molecular FormulaC18H10N4O2
Molecular Weight314.30 g/mol
Exact Mass314.08
IUPAC Name2-[[4-(1-benzofuran-2-carbonyl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(C(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H10N4O2/c19-10-15(11-20)22-21-14-7-5-12(6-8-14)18(23)17-9-13-3-1-2-4-16(13)24-17/h1-9,21H
InChIKeyHQAWAOGLLGCTDJ-UHFFFAOYSA-N
XLogP3.48
TPSA102.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide
CID 17468740
1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone
CID 168514058
2-[[4-(3,4-dimethoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341217
N-[4-(1-benzofuran-2-carbonyl)phenyl]-2-methoxybenzamide
CID 42571061
1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone
CID 29075985
4-[2-(dicyanomethylidene)hydrazinyl]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 169340310
1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone
CID 115807026
4-[2-(dicyanomethylidene)hydrazinyl]-N-(1-phenylethyl)benzamide
CID 169338311
1-benzofuran-2-carboxamide;hydrate;dihydrochloride
CID 144595737
N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1-benzofuran-2-carboxamide
CID 91260047
N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 60646228
5-[2-[1-(1-benzofuran-2-yl)ethylidene]hydrazinyl]-2-chlorobenzoic acid
CID 4181543

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-benzofuran-2-carbonyl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[4-(1-benzofuran-2-carbonyl)phenyl]hydrazinylidene]propanedinitrile (CID 169339945) is 2-[[4-(1-benzofuran-2-carbonyl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[4-(1-benzofuran-2-carbonyl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[4-(1-benzofuran-2-carbonyl)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc(C(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of 2-[[4-(1-benzofuran-2-carbonyl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is HQAWAOGLLGCTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4O2/c19-10-15(11-20)22-21-14-7-5-12(6-8-14)18(23)17-9-13-3-1-2-4-16(13)24-17/h1-9,21H.
What are the key properties of 2-[[4-(1-benzofuran-2-carbonyl)phenyl]hydrazinylidene]propanedinitrile?
2-[[4-(1-benzofuran-2-carbonyl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 314.30 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-benzofuran-2-carbonyl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169339945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).