N-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine

C22H26N4O2 — CID 87390011

IUPACN-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine
SMILESCCN(CC)/N=C(/c1ccccc1OCCOc1ccccc1)n1ccnc1
InChIInChI=1S/C22H26N4O2/c1-3-26(4-2)24-22(25-15-14-23-18-25)20-12-8-9-13-21(20)28-17-16-27-19-10-6-5-7-11-19/h5-15,18H,3-4,16-17H2,1-2H3/b24-22-
InChIKeyUSMRPWLWVNWRRF-GYHWCHFESA-N
MW378.48 g/mol
LogP3.89
Rot. Bonds9

About N-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine

N-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine (PubChem CID 87390011) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine
PubChem CID87390011
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine
SMILESCCN(CC)/N=C(/c1ccccc1OCCOc1ccccc1)n1ccnc1
InChIInChI=1S/C22H26N4O2/c1-3-26(4-2)24-22(25-15-14-23-18-25)20-12-8-9-13-21(20)28-17-16-27-19-10-6-5-7-11-19/h5-15,18H,3-4,16-17H2,1-2H3/b24-22-
InChIKeyUSMRPWLWVNWRRF-GYHWCHFESA-N
XLogP3.89
TPSA51.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[[imidazol-1-yl-[2-(2-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine
CID 67415072
N-[(Z)-[imidazol-1-yl-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]methylidene]amino]-N-methylmethanamine
CID 87389344
N-[(E)-[[2-[(4-ethylphenyl)methoxy]phenyl]-imidazol-1-ylmethylidene]amino]-N-methylmethanamine
CID 87389655
1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole
CID 3007515
N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-propylpropan-1-amine
CID 87389277
1-imidazol-1-yl-3-phenoxypropan-1-one
CID 82113731
1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine
CID 67412800
N-(azepan-1-yl)-1-imidazol-1-yl-1-(2-octoxyphenyl)methanimine
CID 67412141
N-[(Z)-[imidazol-1-yl-[1-(2-phenoxyethyl)imidazol-2-yl]methylidene]amino]-N-methylmethanamine
CID 87389384
imidazol-1-yl-(2-octadecoxyphenyl)methanone
CID 58661296

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine?
The IUPAC name of N-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine (CID 87390011) is N-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine.
What is the SMILES notation for N-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine?
The canonical SMILES for N-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine is CCN(CC)/N=C(/c1ccccc1OCCOc1ccccc1)n1ccnc1.
What is the InChIKey of N-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine?
The InChIKey is USMRPWLWVNWRRF-GYHWCHFESA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-26(4-2)24-22(25-15-14-23-18-25)20-12-8-9-13-21(20)28-17-16-27-19-10-6-5-7-11-19/h5-15,18H,3-4,16-17H2,1-2H3/b24-22-.
What are the key properties of N-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine?
N-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine has a molecular weight of 378.48 g/mol, XLogP of 3.89, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine is sourced from PubChem (CID 87390011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).