N-[(Z)-[imidazol-1-yl-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]methylidene]amino]-N-methylmethanamine

C21H24N4O2 — CID 87389344

IUPACN-[(Z)-[imidazol-1-yl-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]methylidene]amino]-N-methylmethanamine
SMILESCOc1ccc(CCOc2ccccc2/C(=N/N(C)C)n2ccnc2)cc1
InChIInChI=1S/C21H24N4O2/c1-24(2)23-21(25-14-13-22-16-25)19-6-4-5-7-20(19)27-15-12-17-8-10-18(26-3)11-9-17/h4-11,13-14,16H,12,15H2,1-3H3/b23-21-
InChIKeyCDUQBYIFNRMMNC-LNVKXUELSA-N
MW364.45 g/mol
LogP3.28
Rot. Bonds7

About N-[(Z)-[imidazol-1-yl-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]methylidene]amino]-N-methylmethanamine

N-[(Z)-[imidazol-1-yl-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]methylidene]amino]-N-methylmethanamine (PubChem CID 87389344) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(Z)-[imidazol-1-yl-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]methylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(Z)-[imidazol-1-yl-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]methylidene]amino]-N-methylmethanamine
PubChem CID87389344
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[(Z)-[imidazol-1-yl-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]methylidene]amino]-N-methylmethanamine
SMILESCOc1ccc(CCOc2ccccc2/C(=N/N(C)C)n2ccnc2)cc1
InChIInChI=1S/C21H24N4O2/c1-24(2)23-21(25-14-13-22-16-25)19-6-4-5-7-20(19)27-15-12-17-8-10-18(26-3)11-9-17/h4-11,13-14,16H,12,15H2,1-3H3/b23-21-
InChIKeyCDUQBYIFNRMMNC-LNVKXUELSA-N
XLogP3.28
TPSA51.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

N-[[imidazol-1-yl-[2-(2-phenylethoxy)phenyl]methylidene]amino]-N-methylmethanamine
CID 67414235
4-[2-[2-[N-(dimethylamino)-C-imidazol-1-ylcarbonimidoyl]phenoxy]ethyl]-N,N-dimethylaniline
CID 67413593
N-[(E)-[[2-[(4-ethylphenyl)methoxy]phenyl]-imidazol-1-ylmethylidene]amino]-N-methylmethanamine
CID 87389655
N-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine
CID 87390011
N-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine
CID 87390434
N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-methylmethanamine
CID 67414581
N-[[imidazol-1-yl-[2-(2-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine
CID 67415072
[2-[N-(dimethylamino)-C-imidazol-1-ylcarbonimidoyl]phenyl] 3-phenylprop-2-enoate
CID 141228676
N-[[imidazol-1-yl-[3-(2-phenylethyl)thiophen-2-yl]methylidene]amino]-N-methylmethanamine
CID 148920925
1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine
CID 67412800
1-[1-(2-methoxyphenyl)ethenyl]imidazole
CID 3007441
1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole
CID 3007515

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[imidazol-1-yl-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]methylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(Z)-[imidazol-1-yl-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]methylidene]amino]-N-methylmethanamine (CID 87389344) is N-[(Z)-[imidazol-1-yl-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]methylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(Z)-[imidazol-1-yl-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]methylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(Z)-[imidazol-1-yl-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]methylidene]amino]-N-methylmethanamine is COc1ccc(CCOc2ccccc2/C(=N/N(C)C)n2ccnc2)cc1.
What is the InChIKey of N-[(Z)-[imidazol-1-yl-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]methylidene]amino]-N-methylmethanamine?
The InChIKey is CDUQBYIFNRMMNC-LNVKXUELSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-24(2)23-21(25-14-13-22-16-25)19-6-4-5-7-20(19)27-15-12-17-8-10-18(26-3)11-9-17/h4-11,13-14,16H,12,15H2,1-3H3/b23-21-.
What are the key properties of N-[(Z)-[imidazol-1-yl-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]methylidene]amino]-N-methylmethanamine?
N-[(Z)-[imidazol-1-yl-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]methylidene]amino]-N-methylmethanamine has a molecular weight of 364.45 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[imidazol-1-yl-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]methylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 87389344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).