N-[(E)-(3,4-dimethoxy-5-methylphenyl)methylideneamino]-4-imidazol-1-ylaniline

C19H20N4O2 — CID 142947750

IUPACN-[(E)-(3,4-dimethoxy-5-methylphenyl)methylideneamino]-4-imidazol-1-ylaniline
SMILESCOc1cc(/C=N/Nc2ccc(-n3ccnc3)cc2)cc(C)c1OC
InChIInChI=1S/C19H20N4O2/c1-14-10-15(11-18(24-2)19(14)25-3)12-21-22-16-4-6-17(7-5-16)23-9-8-20-13-23/h4-13,22H,1-3H3/b21-12+
InChIKeyGTUXYFQGTHZJCJ-CIAFOILYSA-N
MW336.40 g/mol
LogP3.64
Rot. Bonds6

About N-[(E)-(3,4-dimethoxy-5-methylphenyl)methylideneamino]-4-imidazol-1-ylaniline

N-[(E)-(3,4-dimethoxy-5-methylphenyl)methylideneamino]-4-imidazol-1-ylaniline (PubChem CID 142947750) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxy-5-methylphenyl)methylideneamino]-4-imidazol-1-ylaniline.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxy-5-methylphenyl)methylideneamino]-4-imidazol-1-ylaniline
PubChem CID142947750
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[(E)-(3,4-dimethoxy-5-methylphenyl)methylideneamino]-4-imidazol-1-ylaniline
SMILESCOc1cc(/C=N/Nc2ccc(-n3ccnc3)cc2)cc(C)c1OC
InChIInChI=1S/C19H20N4O2/c1-14-10-15(11-18(24-2)19(14)25-3)12-21-22-16-4-6-17(7-5-16)23-9-8-20-13-23/h4-13,22H,1-3H3/b21-12+
InChIKeyGTUXYFQGTHZJCJ-CIAFOILYSA-N
XLogP3.64
TPSA60.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(3-bromo-5-methoxyphenyl)methylideneamino]-4-imidazol-1-ylaniline
CID 23106693
4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 6258839
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110505059
N-[(4-imidazol-1-yl-3-methylphenyl)methylideneamino]-6,7-dimethoxyquinolin-4-amine;hydrochloride
CID 171615084
(E)-1-(4-imidazol-1-ylphenyl)-N-methoxymethanimine
CID 58835268
N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline
CID 110505430
[2,6-dimethoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenyl] acetate
CID 9059590
4-N,6-N-bis(4-methylphenyl)-2-N-[(3,4,5-trimethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 3720446
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 92646919
4-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 84901065
N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 24980500
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-nitroaniline
CID 124605350

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxy-5-methylphenyl)methylideneamino]-4-imidazol-1-ylaniline?
The IUPAC name of N-[(E)-(3,4-dimethoxy-5-methylphenyl)methylideneamino]-4-imidazol-1-ylaniline (CID 142947750) is N-[(E)-(3,4-dimethoxy-5-methylphenyl)methylideneamino]-4-imidazol-1-ylaniline.
What is the SMILES notation for N-[(E)-(3,4-dimethoxy-5-methylphenyl)methylideneamino]-4-imidazol-1-ylaniline?
The canonical SMILES for N-[(E)-(3,4-dimethoxy-5-methylphenyl)methylideneamino]-4-imidazol-1-ylaniline is COc1cc(/C=N/Nc2ccc(-n3ccnc3)cc2)cc(C)c1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxy-5-methylphenyl)methylideneamino]-4-imidazol-1-ylaniline?
The InChIKey is GTUXYFQGTHZJCJ-CIAFOILYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-10-15(11-18(24-2)19(14)25-3)12-21-22-16-4-6-17(7-5-16)23-9-8-20-13-23/h4-13,22H,1-3H3/b21-12+.
What are the key properties of N-[(E)-(3,4-dimethoxy-5-methylphenyl)methylideneamino]-4-imidazol-1-ylaniline?
N-[(E)-(3,4-dimethoxy-5-methylphenyl)methylideneamino]-4-imidazol-1-ylaniline has a molecular weight of 336.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxy-5-methylphenyl)methylideneamino]-4-imidazol-1-ylaniline is sourced from PubChem (CID 142947750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).