N-methyl-1-phenylmethoxyimidazolidin-2-imine

C11H15N3O — CID 135883693

IUPACN-methyl-1-phenylmethoxyimidazolidin-2-imine
SMILESC/N=C1\NCCN1OCc1ccccc1
InChIInChI=1S/C11H15N3O/c1-12-11-13-7-8-14(11)15-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,12,13)
InChIKeyNJADOQCPTPCTLF-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.01
Rot. Bonds3

About N-methyl-1-phenylmethoxyimidazolidin-2-imine

N-methyl-1-phenylmethoxyimidazolidin-2-imine (PubChem CID 135883693) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-methyl-1-phenylmethoxyimidazolidin-2-imine.

Molecular Properties

Compound NameN-methyl-1-phenylmethoxyimidazolidin-2-imine
PubChem CID135883693
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-methyl-1-phenylmethoxyimidazolidin-2-imine
SMILESC/N=C1\NCCN1OCc1ccccc1
InChIInChI=1S/C11H15N3O/c1-12-11-13-7-8-14(11)15-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,12,13)
InChIKeyNJADOQCPTPCTLF-UHFFFAOYSA-N
XLogP1.01
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenylmethoxyimidazolidin-2-imine?
The IUPAC name of N-methyl-1-phenylmethoxyimidazolidin-2-imine (CID 135883693) is N-methyl-1-phenylmethoxyimidazolidin-2-imine.
What is the SMILES notation for N-methyl-1-phenylmethoxyimidazolidin-2-imine?
The canonical SMILES for N-methyl-1-phenylmethoxyimidazolidin-2-imine is C/N=C1\NCCN1OCc1ccccc1.
What is the InChIKey of N-methyl-1-phenylmethoxyimidazolidin-2-imine?
The InChIKey is NJADOQCPTPCTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-12-11-13-7-8-14(11)15-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,12,13).
What are the key properties of N-methyl-1-phenylmethoxyimidazolidin-2-imine?
N-methyl-1-phenylmethoxyimidazolidin-2-imine has a molecular weight of 205.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenylmethoxyimidazolidin-2-imine is sourced from PubChem (CID 135883693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).