N-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine

C15H18N4O — CID 87390434

IUPACN-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine
SMILESC/C=C\Oc1ccccc1/C(=N/N(C)C)n1ccnc1
InChIInChI=1S/C15H18N4O/c1-4-11-20-14-8-6-5-7-13(14)15(17-18(2)3)19-10-9-16-12-19/h4-12H,1-3H3/b11-4-,17-15-
InChIKeyQXSMMRSMCOIBDE-DFAACKQBSA-N
MW270.34 g/mol
LogP2.57
Rot. Bonds4

About N-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine

N-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine (PubChem CID 87390434) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine
PubChem CID87390434
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine
SMILESC/C=C\Oc1ccccc1/C(=N/N(C)C)n1ccnc1
InChIInChI=1S/C15H18N4O/c1-4-11-20-14-8-6-5-7-13(14)15(17-18(2)3)19-10-9-16-12-19/h4-12H,1-3H3/b11-4-,17-15-
InChIKeyQXSMMRSMCOIBDE-DFAACKQBSA-N
XLogP2.57
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-methylmethanamine
CID 67414581
N-[[imidazol-1-yl-[2-(2-phenylethoxy)phenyl]methylidene]amino]-N-methylmethanamine
CID 67414235
N-[(E)-[[2-[(4-ethylphenyl)methoxy]phenyl]-imidazol-1-ylmethylidene]amino]-N-methylmethanamine
CID 87389655
[2-[N-(dimethylamino)-C-imidazol-1-ylcarbonimidoyl]phenyl] 3-phenylprop-2-enoate
CID 141228676
4-[2-[2-[N-(dimethylamino)-C-imidazol-1-ylcarbonimidoyl]phenoxy]ethyl]-N,N-dimethylaniline
CID 67413593
N-[(Z)-[imidazol-1-yl-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]methylidene]amino]-N-methylmethanamine
CID 87389344
N-[[imidazol-1-yl-[2-(2-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine
CID 67415072
N-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine
CID 87390011
1-[1-(2-methoxyphenyl)ethenyl]imidazole
CID 3007441
N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-propylpropan-1-amine
CID 87389277
N-[(Z)-[imidazol-1-yl-[1-(2-phenoxyethyl)imidazol-2-yl]methylidene]amino]-N-methylmethanamine
CID 87389384
N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-hexylhexan-1-amine
CID 87390015

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine (CID 87390434) is N-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine is C/C=C\Oc1ccccc1/C(=N/N(C)C)n1ccnc1.
What is the InChIKey of N-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine?
The InChIKey is QXSMMRSMCOIBDE-DFAACKQBSA-N. The full InChI is InChI=1S/C15H18N4O/c1-4-11-20-14-8-6-5-7-13(14)15(17-18(2)3)19-10-9-16-12-19/h4-12H,1-3H3/b11-4-,17-15-.
What are the key properties of N-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine?
N-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine has a molecular weight of 270.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 87390434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).