(1Z)-2-amino-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]-2-iminoethanimidoyl cyanide

C16H10Cl2N6O — CID 172978735

IUPAC(1Z)-2-amino-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1
InChIInChI=1S/C16H10Cl2N6O/c17-8-1-3-10(11(18)5-8)16-22-12-6-9(2-4-14(12)25-16)23-24-13(7-19)15(20)21/h1-6,23H,(H3,20,21)/b24-13+
InChIKeyNLBNPXXFLRGAHU-ZMOGYAJESA-N
MW373.20 g/mol
LogP4.03
Rot. Bonds4

About (1Z)-2-amino-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]-2-iminoethanimidoyl cyanide (PubChem CID 172978735) has the molecular formula C16H10Cl2N6O and a molecular weight of 373.20 g/mol. Its IUPAC name is (1Z)-2-amino-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]-2-iminoethanimidoyl cyanide
PubChem CID172978735
Molecular FormulaC16H10Cl2N6O
Molecular Weight373.20 g/mol
Exact Mass372.03
IUPAC Name(1Z)-2-amino-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1
InChIInChI=1S/C16H10Cl2N6O/c17-8-1-3-10(11(18)5-8)16-22-12-6-9(2-4-14(12)25-16)23-24-13(7-19)15(20)21/h1-6,23H,(H3,20,21)/b24-13+
InChIKeyNLBNPXXFLRGAHU-ZMOGYAJESA-N
XLogP4.03
TPSA124.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]-2-iminoethanimidoyl 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-N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]-2-iminoethanimidoyl cyanide
CID 172978990
(1Z)-2-amino-N-(3-chloro-4-hydroxyanilino)-2-iminoethanimidoyl cyanide
CID 172980240
(1Z)-2-amino-N-(3-chloro-4-methylanilino)-2-iminoethanimidoyl cyanide
CID 172931907
(1Z)-2-amino-2-imino-N-[[7-methyl-2-(2-methylphenyl)-1,3-benzoxazol-5-yl]amino]ethanimidoyl cyanide
CID 172977520
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 880527
(1Z)-2-amino-N-[(3-chloroisoquinolin-6-yl)amino]-2-iminoethanimidoyl cyanide
CID 172979432
2-(2,4-dichlorophenyl)-N-ethyl-1,3-benzoxazol-5-amine
CID 91677608
5-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-2-(4-chlorophenyl)sulfanylbenzoic acid
CID 172977548
(1Z)-2-amino-N-(4-hydroxyanilino)-2-iminoethanimidoyl cyanide
CID 172931572
2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
CID 23739200
(1Z)-2-amino-N-[4-(1,3-benzoxazol-4-yloxy)-3-chloroanilino]-2-iminoethanimidoyl cyanide
CID 172979436
(1Z)-2-amino-N-(2,4-dichloro-6-methylanilino)-2-iminoethanimidoyl cyanide
CID 172931915

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]-2-iminoethanimidoyl cyanide (CID 172978735) is (1Z)-2-amino-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1.
What is the InChIKey of (1Z)-2-amino-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]-2-iminoethanimidoyl cyanide?
The InChIKey is NLBNPXXFLRGAHU-ZMOGYAJESA-N. The full InChI is InChI=1S/C16H10Cl2N6O/c17-8-1-3-10(11(18)5-8)16-22-12-6-9(2-4-14(12)25-16)23-24-13(7-19)15(20)21/h1-6,23H,(H3,20,21)/b24-13+.
What are the key properties of (1Z)-2-amino-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]-2-iminoethanimidoyl cyanide has a molecular weight of 373.20 g/mol, XLogP of 4.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172978735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).