N-[[imidazol-1-yl-[2-(2-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine

C20H22N4OS — CID 67415072

IUPACN-[[imidazol-1-yl-[2-(2-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine
SMILESCN(C)N=C(c1ccccc1SCCOc1ccccc1)n1ccnc1
InChIInChI=1S/C20H22N4OS/c1-23(2)22-20(24-13-12-21-16-24)18-10-6-7-11-19(18)26-15-14-25-17-8-4-3-5-9-17/h3-13,16H,14-15H2,1-2H3
InChIKeyRUOBKLZPNBYKIF-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.83
Rot. Bonds7

About N-[[imidazol-1-yl-[2-(2-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine

N-[[imidazol-1-yl-[2-(2-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine (PubChem CID 67415072) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[[imidazol-1-yl-[2-(2-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[[imidazol-1-yl-[2-(2-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine
PubChem CID67415072
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-[[imidazol-1-yl-[2-(2-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine
SMILESCN(C)N=C(c1ccccc1SCCOc1ccccc1)n1ccnc1
InChIInChI=1S/C20H22N4OS/c1-23(2)22-20(24-13-12-21-16-24)18-10-6-7-11-19(18)26-15-14-25-17-8-4-3-5-9-17/h3-13,16H,14-15H2,1-2H3
InChIKeyRUOBKLZPNBYKIF-UHFFFAOYSA-N
XLogP3.83
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.83
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-[(Z)-[imidazol-1-yl-[1-(2-phenoxyethyl)imidazol-2-yl]methylidene]amino]-N-methylmethanamine
CID 87389384
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
1-imidazol-1-yl-3-phenoxypropan-1-one
CID 82113731
N-[(E)-[[2-[(4-ethylphenyl)methoxy]phenyl]-imidazol-1-ylmethylidene]amino]-N-methylmethanamine
CID 87389655
4-[2-[2-[N-(dimethylamino)-C-imidazol-1-ylcarbonimidoyl]phenoxy]ethyl]-N,N-dimethylaniline
CID 67413593
N-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine
CID 87390434
[2-[N-(dimethylamino)-C-imidazol-1-ylcarbonimidoyl]phenyl] 3-phenylprop-2-enoate
CID 141228676
N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-propylpropan-1-amine
CID 87389277
N-[[imidazol-1-yl-[3-(2-phenylethyl)thiophen-2-yl]methylidene]amino]-N-methylmethanamine
CID 148920925

Frequently Asked Questions

What is the IUPAC name of N-[[imidazol-1-yl-[2-(2-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[[imidazol-1-yl-[2-(2-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine (CID 67415072) is N-[[imidazol-1-yl-[2-(2-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[[imidazol-1-yl-[2-(2-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[[imidazol-1-yl-[2-(2-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine is CN(C)N=C(c1ccccc1SCCOc1ccccc1)n1ccnc1.
What is the InChIKey of N-[[imidazol-1-yl-[2-(2-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine?
The InChIKey is RUOBKLZPNBYKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-23(2)22-20(24-13-12-21-16-24)18-10-6-7-11-19(18)26-15-14-25-17-8-4-3-5-9-17/h3-13,16H,14-15H2,1-2H3.
What are the key properties of N-[[imidazol-1-yl-[2-(2-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine?
N-[[imidazol-1-yl-[2-(2-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine has a molecular weight of 366.49 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[imidazol-1-yl-[2-(2-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 67415072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).