(2E,4Z)-6-[2-(benzylamino)phenyl]-6-imino-2-methylhexa-2,4-diene-1,5-diol

C20H22N2O2 — CID 163719180

IUPAC(2E,4Z)-6-[2-(benzylamino)phenyl]-6-imino-2-methylhexa-2,4-diene-1,5-diol
SMILES[H]/N=C(C(\O)=C\C=C(/C)CO)/c1ccccc1NCc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-15(14-23)11-12-19(24)20(21)17-9-5-6-10-18(17)22-13-16-7-3-2-4-8-16/h2-12,21-24H,13-14H2,1H3/b15-11+,19-12-,21-20-
InChIKeyKQAIGJAVKRTCKN-QUOQWLRSSA-N
MW322.41 g/mol
LogP4.05
Rot. Bonds7

About (2E,4Z)-6-[2-(benzylamino)phenyl]-6-imino-2-methylhexa-2,4-diene-1,5-diol

(2E,4Z)-6-[2-(benzylamino)phenyl]-6-imino-2-methylhexa-2,4-diene-1,5-diol (PubChem CID 163719180) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2E,4Z)-6-[2-(benzylamino)phenyl]-6-imino-2-methylhexa-2,4-diene-1,5-diol.

Molecular Properties

Compound Name(2E,4Z)-6-[2-(benzylamino)phenyl]-6-imino-2-methylhexa-2,4-diene-1,5-diol
PubChem CID163719180
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(2E,4Z)-6-[2-(benzylamino)phenyl]-6-imino-2-methylhexa-2,4-diene-1,5-diol
SMILES[H]/N=C(C(\O)=C\C=C(/C)CO)/c1ccccc1NCc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-15(14-23)11-12-19(24)20(21)17-9-5-6-10-18(17)22-13-16-7-3-2-4-8-16/h2-12,21-24H,13-14H2,1H3/b15-11+,19-12-,21-20-
InChIKeyKQAIGJAVKRTCKN-QUOQWLRSSA-N
XLogP4.05
TPSA76.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z)-6-[2-(benzylamino)phenyl]-6-imino-2-methylhexa-2,4-diene-1,5-diol 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

2-(benzylamino)benzenecarboximidamide
CID 82253277
N,N-dimethylmethanamine;2-[2-[(4-formylphenyl)methylamino]phenyl]-2-imino-N-(4-methylphenyl)acetamide
CID 143870942
2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-iminoacetic acid
CID 143179363
N-benzyl-2-(1-phenylethenyl)aniline
CID 132548743
4-[(2-carbamimidoylanilino)methyl]benzoic acid
CID 82253624
4-[(2-carbamimidoylanilino)methyl]benzoic acid;hydrochloride
CID 82253623
2-[2-[2-(methylamino)-2-oxoethanimidoyl]anilino]acetic acid
CID 123894149
2-(benzylamino)-N-propan-2-ylbenzamide
CID 110486900
2-imino-2-[2-(propan-2-ylamino)phenyl]acetic acid
CID 145020481
1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine
CID 59193671
(Z)-2-[2-[(4-methoxyphenyl)methylamino]phenyl]pent-2-enimidamide
CID 145043426
2-(benzylamino)-6-fluorobenzenecarboximidamide
CID 82253404

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-[2-(benzylamino)phenyl]-6-imino-2-methylhexa-2,4-diene-1,5-diol?
The IUPAC name of (2E,4Z)-6-[2-(benzylamino)phenyl]-6-imino-2-methylhexa-2,4-diene-1,5-diol (CID 163719180) is (2E,4Z)-6-[2-(benzylamino)phenyl]-6-imino-2-methylhexa-2,4-diene-1,5-diol.
What is the SMILES notation for (2E,4Z)-6-[2-(benzylamino)phenyl]-6-imino-2-methylhexa-2,4-diene-1,5-diol?
The canonical SMILES for (2E,4Z)-6-[2-(benzylamino)phenyl]-6-imino-2-methylhexa-2,4-diene-1,5-diol is [H]/N=C(C(\O)=C\C=C(/C)CO)/c1ccccc1NCc1ccccc1.
What is the InChIKey of (2E,4Z)-6-[2-(benzylamino)phenyl]-6-imino-2-methylhexa-2,4-diene-1,5-diol?
The InChIKey is KQAIGJAVKRTCKN-QUOQWLRSSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15(14-23)11-12-19(24)20(21)17-9-5-6-10-18(17)22-13-16-7-3-2-4-8-16/h2-12,21-24H,13-14H2,1H3/b15-11+,19-12-,21-20-.
What are the key properties of (2E,4Z)-6-[2-(benzylamino)phenyl]-6-imino-2-methylhexa-2,4-diene-1,5-diol?
(2E,4Z)-6-[2-(benzylamino)phenyl]-6-imino-2-methylhexa-2,4-diene-1,5-diol has a molecular weight of 322.41 g/mol, XLogP of 4.05, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-[2-(benzylamino)phenyl]-6-imino-2-methylhexa-2,4-diene-1,5-diol is sourced from PubChem (CID 163719180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).