1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine

C22H23N5 — CID 10043892

IUPAC1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine
SMILESCN(C)c1ccc(/C(=N/N/C(N)=N/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23N5/c1-27(2)20-15-13-18(14-16-20)21(17-9-5-3-6-10-17)25-26-22(23)24-19-11-7-4-8-12-19/h3-16H,1-2H3,(H3,23,24,26)/b25-21+
InChIKeyTYDMJJMQGZXJEY-NJNXFGOHSA-N
MW357.46 g/mol
LogP3.74
Rot. Bonds5

About 1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine

1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine (PubChem CID 10043892) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine.

Molecular Properties

Compound Name1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine
PubChem CID10043892
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine
SMILESCN(C)c1ccc(/C(=N/N/C(N)=N/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23N5/c1-27(2)20-15-13-18(14-16-20)21(17-9-5-3-6-10-17)25-26-22(23)24-19-11-7-4-8-12-19/h3-16H,1-2H3,(H3,23,24,26)/b25-21+
InChIKeyTYDMJJMQGZXJEY-NJNXFGOHSA-N
XLogP3.74
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(dimethylamino)-5-[(E)-C-phenyl-N-[(N'-phenylcarbamimidoyl)amino]carbonimidoyl]benzenesulfonic acid
CID 10003202
2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine
CID 13451380
N-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide
CID 5438344
4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline
CID 56850221
N-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-3,5-dinitrobenzamide
CID 3090062
CID 102282703
CID 102282703
4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline
CID 134172989
4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6524785
N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline
CID 21335817
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine
CID 58390255
N-[N'-[3-(dimethylamino)phenyl]carbamimidoyl]benzamide
CID 142011428
3-(N'-phenylcarbamimidoyl)sulfanylpropyl N'-[4-(dimethylamino)phenyl]carbamimidothioate
CID 56836457

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine?
The IUPAC name of 1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine (CID 10043892) is 1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine.
What is the SMILES notation for 1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine?
The canonical SMILES for 1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine is CN(C)c1ccc(/C(=N/N/C(N)=N/c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine?
The InChIKey is TYDMJJMQGZXJEY-NJNXFGOHSA-N. The full InChI is InChI=1S/C22H23N5/c1-27(2)20-15-13-18(14-16-20)21(17-9-5-3-6-10-17)25-26-22(23)24-19-11-7-4-8-12-19/h3-16H,1-2H3,(H3,23,24,26)/b25-21+.
What are the key properties of 1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine?
1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine has a molecular weight of 357.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine is sourced from PubChem (CID 10043892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).