(1Z)-2-amino-2-imino-N-[(2-phenyl-1-benzofuran-7-yl)amino]ethanimidoyl cyanide

C17H13N5O — CID 172978752

IUPAC(1Z)-2-amino-2-imino-N-[(2-phenyl-1-benzofuran-7-yl)amino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cccc2cc(-c3ccccc3)oc12
InChIInChI=1S/C17H13N5O/c18-10-14(17(19)20)22-21-13-8-4-7-12-9-15(23-16(12)13)11-5-2-1-3-6-11/h1-9,21H,(H3,19,20)/b22-14+
InChIKeyTYRPECRQZZEASF-HYARGMPZSA-N
MW303.33 g/mol
LogP3.33
Rot. Bonds4

About (1Z)-2-amino-2-imino-N-[(2-phenyl-1-benzofuran-7-yl)amino]ethanimidoyl cyanide

(1Z)-2-amino-2-imino-N-[(2-phenyl-1-benzofuran-7-yl)amino]ethanimidoyl cyanide (PubChem CID 172978752) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is (1Z)-2-amino-2-imino-N-[(2-phenyl-1-benzofuran-7-yl)amino]ethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-2-imino-N-[(2-phenyl-1-benzofuran-7-yl)amino]ethanimidoyl cyanide
PubChem CID172978752
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name(1Z)-2-amino-2-imino-N-[(2-phenyl-1-benzofuran-7-yl)amino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cccc2cc(-c3ccccc3)oc12
InChIInChI=1S/C17H13N5O/c18-10-14(17(19)20)22-21-13-8-4-7-12-9-15(23-16(12)13)11-5-2-1-3-6-11/h1-9,21H,(H3,19,20)/b22-14+
InChIKeyTYRPECRQZZEASF-HYARGMPZSA-N
XLogP3.33
TPSA111.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1Z)-2-amino-2-imino-N-[(2-phenyl-1-benzofuran-7-yl)amino]ethanimidoyl cyanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1Z)-2-amino-2-imino-N-(2-methoxy-5-phenylanilino)ethanimidoyl cyanide
CID 172932129
(1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide
CID 172976781
(1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide
CID 172980468
(1Z)-2-amino-2-imino-N-(isoquinolin-5-ylamino)ethanimidoyl cyanide
CID 172931817
(1Z)-2-amino-N-[[3-(hydroxymethyl)naphthalen-2-yl]amino]-2-iminoethanimidoyl cyanide
CID 172978404
(1Z)-2-amino-N-[2-(3,5-difluorophenyl)anilino]-2-iminoethanimidoyl cyanide
CID 172979840
(1Z)-2-amino-N-(4-tert-butyl-2-phenylanilino)-2-iminoethanimidoyl cyanide
CID 172976210
methyl 3-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-2-phenylbenzoate
CID 172979293
(1Z)-2-amino-N-(1-benzofuran-4-ylamino)-2-iminoethanimidoyl cyanide
CID 172979480
(1Z)-2-amino-N-(4-bromo-2-hydroxyanilino)-2-iminoethanimidoyl cyanide
CID 172931849
(1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172931881
(1Z)-2-amino-N-[2-(3,4-difluorophenyl)anilino]-2-iminoethanimidoyl cyanide
CID 172977146

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-2-imino-N-[(2-phenyl-1-benzofuran-7-yl)amino]ethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-2-imino-N-[(2-phenyl-1-benzofuran-7-yl)amino]ethanimidoyl cyanide (CID 172978752) is (1Z)-2-amino-2-imino-N-[(2-phenyl-1-benzofuran-7-yl)amino]ethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-2-imino-N-[(2-phenyl-1-benzofuran-7-yl)amino]ethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-2-imino-N-[(2-phenyl-1-benzofuran-7-yl)amino]ethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1cccc2cc(-c3ccccc3)oc12.
What is the InChIKey of (1Z)-2-amino-2-imino-N-[(2-phenyl-1-benzofuran-7-yl)amino]ethanimidoyl cyanide?
The InChIKey is TYRPECRQZZEASF-HYARGMPZSA-N. The full InChI is InChI=1S/C17H13N5O/c18-10-14(17(19)20)22-21-13-8-4-7-12-9-15(23-16(12)13)11-5-2-1-3-6-11/h1-9,21H,(H3,19,20)/b22-14+.
What are the key properties of (1Z)-2-amino-2-imino-N-[(2-phenyl-1-benzofuran-7-yl)amino]ethanimidoyl cyanide?
(1Z)-2-amino-2-imino-N-[(2-phenyl-1-benzofuran-7-yl)amino]ethanimidoyl cyanide has a molecular weight of 303.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-2-imino-N-[(2-phenyl-1-benzofuran-7-yl)amino]ethanimidoyl cyanide is sourced from PubChem (CID 172978752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).