N-[(Z)-[imidazol-1-yl-[1-(2-phenoxyethyl)imidazol-2-yl]methylidene]amino]-N-methylmethanamine

C17H20N6O — CID 87389384

IUPACN-[(Z)-[imidazol-1-yl-[1-(2-phenoxyethyl)imidazol-2-yl]methylidene]amino]-N-methylmethanamine
SMILESCN(C)/N=C(/c1nccn1CCOc1ccccc1)n1ccnc1
InChIInChI=1S/C17H20N6O/c1-21(2)20-17(23-10-8-18-14-23)16-19-9-11-22(16)12-13-24-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3/b20-17-
InChIKeyRIRJVYNBFMEVHR-JZJYNLBNSA-N
MW324.39 g/mol
LogP1.93
Rot. Bonds6

About N-[(Z)-[imidazol-1-yl-[1-(2-phenoxyethyl)imidazol-2-yl]methylidene]amino]-N-methylmethanamine

N-[(Z)-[imidazol-1-yl-[1-(2-phenoxyethyl)imidazol-2-yl]methylidene]amino]-N-methylmethanamine (PubChem CID 87389384) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[(Z)-[imidazol-1-yl-[1-(2-phenoxyethyl)imidazol-2-yl]methylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(Z)-[imidazol-1-yl-[1-(2-phenoxyethyl)imidazol-2-yl]methylidene]amino]-N-methylmethanamine
PubChem CID87389384
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-[(Z)-[imidazol-1-yl-[1-(2-phenoxyethyl)imidazol-2-yl]methylidene]amino]-N-methylmethanamine
SMILESCN(C)/N=C(/c1nccn1CCOc1ccccc1)n1ccnc1
InChIInChI=1S/C17H20N6O/c1-21(2)20-17(23-10-8-18-14-23)16-19-9-11-22(16)12-13-24-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3/b20-17-
InChIKeyRIRJVYNBFMEVHR-JZJYNLBNSA-N
XLogP1.93
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine
CID 67415072
1-imidazol-1-yl-3-phenoxypropan-1-one
CID 82113731
N-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine
CID 87390011
N-[[imidazol-1-yl-[2-(2-phenylethoxy)phenyl]methylidene]amino]-N-methylmethanamine
CID 67414235
N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-methylmethanamine
CID 67414581
N-[(Z)-[imidazol-1-yl-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]methylidene]amino]-N-methylmethanamine
CID 87389344
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-[[imidazol-1-yl-[3-(2-phenylethyl)thiophen-2-yl]methylidene]amino]-N-methylmethanamine
CID 148920925
1-(2-phenoxyethyl)-2-(1-propan-2-ylimidazol-2-yl)imidazole
CID 56880138
N-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine
CID 87390434
3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one
CID 94273200

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[imidazol-1-yl-[1-(2-phenoxyethyl)imidazol-2-yl]methylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(Z)-[imidazol-1-yl-[1-(2-phenoxyethyl)imidazol-2-yl]methylidene]amino]-N-methylmethanamine (CID 87389384) is N-[(Z)-[imidazol-1-yl-[1-(2-phenoxyethyl)imidazol-2-yl]methylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(Z)-[imidazol-1-yl-[1-(2-phenoxyethyl)imidazol-2-yl]methylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(Z)-[imidazol-1-yl-[1-(2-phenoxyethyl)imidazol-2-yl]methylidene]amino]-N-methylmethanamine is CN(C)/N=C(/c1nccn1CCOc1ccccc1)n1ccnc1.
What is the InChIKey of N-[(Z)-[imidazol-1-yl-[1-(2-phenoxyethyl)imidazol-2-yl]methylidene]amino]-N-methylmethanamine?
The InChIKey is RIRJVYNBFMEVHR-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H20N6O/c1-21(2)20-17(23-10-8-18-14-23)16-19-9-11-22(16)12-13-24-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3/b20-17-.
What are the key properties of N-[(Z)-[imidazol-1-yl-[1-(2-phenoxyethyl)imidazol-2-yl]methylidene]amino]-N-methylmethanamine?
N-[(Z)-[imidazol-1-yl-[1-(2-phenoxyethyl)imidazol-2-yl]methylidene]amino]-N-methylmethanamine has a molecular weight of 324.39 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[imidazol-1-yl-[1-(2-phenoxyethyl)imidazol-2-yl]methylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 87389384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).