2-[(E)-[4-[4-[(E)-[(2-chloro-5-methylphenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]guanidine

C22H21ClN6 — CID 137394709

IUPAC2-[(E)-[4-[4-[(E)-[(2-chloro-5-methylphenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]guanidine
SMILESCc1ccc(Cl)c(N/N=C/c2ccc(-c3ccc(/C=N/N=C(N)N)cc3)cc2)c1
InChIInChI=1S/C22H21ClN6/c1-15-2-11-20(23)21(12-15)28-26-13-16-3-7-18(8-4-16)19-9-5-17(6-10-19)14-27-29-22(24)25/h2-14,28H,1H3,(H4,24,25,29)/b26-13+,27-14+
InChIKeyDNFMFQOBDXZOQW-BMNRKXRESA-N
MW404.91 g/mol
LogP4.37
Rot. Bonds6

About 2-[(E)-[4-[4-[(E)-[(2-chloro-5-methylphenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]guanidine

2-[(E)-[4-[4-[(E)-[(2-chloro-5-methylphenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]guanidine (PubChem CID 137394709) has the molecular formula C22H21ClN6 and a molecular weight of 404.91 g/mol. Its IUPAC name is 2-[(E)-[4-[4-[(E)-[(2-chloro-5-methylphenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[4-[4-[(E)-[(2-chloro-5-methylphenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]guanidine
PubChem CID137394709
Molecular FormulaC22H21ClN6
Molecular Weight404.91 g/mol
Exact Mass404.15
IUPAC Name2-[(E)-[4-[4-[(E)-[(2-chloro-5-methylphenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]guanidine
SMILESCc1ccc(Cl)c(N/N=C/c2ccc(-c3ccc(/C=N/N=C(N)N)cc3)cc2)c1
InChIInChI=1S/C22H21ClN6/c1-15-2-11-20(23)21(12-15)28-26-13-16-3-7-18(8-4-16)19-9-5-17(6-10-19)14-27-29-22(24)25/h2-14,28H,1H3,(H4,24,25,29)/b26-13+,27-14+
InChIKeyDNFMFQOBDXZOQW-BMNRKXRESA-N
XLogP4.37
TPSA101.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.91
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine
CID 168591423
1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine
CID 11963576
1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide
CID 171376890
2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880611
2,4,6-trichloro-N-[(Z)-(4-methylphenyl)methylideneamino]aniline
CID 6050977
2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine
CID 134136656
N-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride
CID 73242933
N-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
CID 3500417
2-[(E)-[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl]methylideneamino]guanidine
CID 134157104
2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine
CID 140863883
3-[(2Z)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-4-chlorobenzoic acid
CID 8973463
2-chloro-N-[(3-methylphenyl)methylideneamino]-5-(trifluoromethyl)aniline
CID 3532442

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-[4-[(E)-[(2-chloro-5-methylphenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[4-[4-[(E)-[(2-chloro-5-methylphenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]guanidine (CID 137394709) is 2-[(E)-[4-[4-[(E)-[(2-chloro-5-methylphenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[4-[4-[(E)-[(2-chloro-5-methylphenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[4-[4-[(E)-[(2-chloro-5-methylphenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]guanidine is Cc1ccc(Cl)c(N/N=C/c2ccc(-c3ccc(/C=N/N=C(N)N)cc3)cc2)c1.
What is the InChIKey of 2-[(E)-[4-[4-[(E)-[(2-chloro-5-methylphenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]guanidine?
The InChIKey is DNFMFQOBDXZOQW-BMNRKXRESA-N. The full InChI is InChI=1S/C22H21ClN6/c1-15-2-11-20(23)21(12-15)28-26-13-16-3-7-18(8-4-16)19-9-5-17(6-10-19)14-27-29-22(24)25/h2-14,28H,1H3,(H4,24,25,29)/b26-13+,27-14+.
What are the key properties of 2-[(E)-[4-[4-[(E)-[(2-chloro-5-methylphenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]guanidine?
2-[(E)-[4-[4-[(E)-[(2-chloro-5-methylphenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]guanidine has a molecular weight of 404.91 g/mol, XLogP of 4.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-[4-[(E)-[(2-chloro-5-methylphenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 137394709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).