N-[[2-[C-(4,5-dihydro-1H-imidazol-2-yl)-N-methoxycarbonimidoyl]phenyl]methoxy]propan-2-imine

C15H20N4O2 — CID 72599746

IUPACN-[[2-[C-(4,5-dihydro-1H-imidazol-2-yl)-N-methoxycarbonimidoyl]phenyl]methoxy]propan-2-imine
SMILESCON=C(C1=NCCN1)c1ccccc1CON=C(C)C
InChIInChI=1S/C15H20N4O2/c1-11(2)18-21-10-12-6-4-5-7-13(12)14(19-20-3)15-16-8-9-17-15/h4-7H,8-10H2,1-3H3,(H,16,17)
InChIKeyNBTRAACQUJDPNJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.95
Rot. Bonds6

About N-[[2-[C-(4,5-dihydro-1H-imidazol-2-yl)-N-methoxycarbonimidoyl]phenyl]methoxy]propan-2-imine

N-[[2-[C-(4,5-dihydro-1H-imidazol-2-yl)-N-methoxycarbonimidoyl]phenyl]methoxy]propan-2-imine (PubChem CID 72599746) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[[2-[C-(4,5-dihydro-1H-imidazol-2-yl)-N-methoxycarbonimidoyl]phenyl]methoxy]propan-2-imine.

Molecular Properties

Compound NameN-[[2-[C-(4,5-dihydro-1H-imidazol-2-yl)-N-methoxycarbonimidoyl]phenyl]methoxy]propan-2-imine
PubChem CID72599746
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[[2-[C-(4,5-dihydro-1H-imidazol-2-yl)-N-methoxycarbonimidoyl]phenyl]methoxy]propan-2-imine
SMILESCON=C(C1=NCCN1)c1ccccc1CON=C(C)C
InChIInChI=1S/C15H20N4O2/c1-11(2)18-21-10-12-6-4-5-7-13(12)14(19-20-3)15-16-8-9-17-15/h4-7H,8-10H2,1-3H3,(H,16,17)
InChIKeyNBTRAACQUJDPNJ-UHFFFAOYSA-N
XLogP1.95
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[C-(4,5-dihydro-1H-imidazol-2-yl)-N-methoxycarbonimidoyl]phenyl]methoxy]-1-[3-(trifluoromethyl)phenyl]ethenamine
CID 57081430
methyl (2E)-2-methoxyimino-N-methyl-2-[2-[(propan-2-ylideneamino)oxymethyl]phenyl]ethanimidate
CID 59871398
(1Z)-N-methoxy-2-[(propan-2-ylideneamino)oxymethyl]benzenecarboximidoyl cyanide
CID 22944327
(2Z)-2-methoxyimino-2-[2-[(propan-2-ylideneamino)oxymethyl]phenyl]ethanethioamide
CID 22944331
(1Z)-N-[[2-[C-(3-amino-1H-1,2,4-triazol-5-yl)-N-methoxycarbonimidoyl]phenyl]methoxy]ethanimidoyl cyanide
CID 172972245
methyl 2-[2-[(propan-2-ylideneamino)oxymethyl]phenyl]prop-2-enoate
CID 21350017
N-[C-[(Z)-N-methoxy-C-[2-[(propan-2-ylideneamino)oxymethyl]phenyl]carbonimidoyl]-N-methylcarbonimidoyl]acetamide
CID 90935742
N-[[2-[1-(1,3-dioxolan-2-yl)-2-methoxyethenyl]phenyl]methoxy]propan-2-imine
CID 72599770
(2E)-2-methoxyimino-2-[2-[(propan-2-ylideneamino)oxymethyl]phenyl]ethanethioamide;(1E)-N-methoxy-2-[(propan-2-ylideneamino)oxymethyl]benzenecarboximidoyl cyanide;sulfane
CID 172929086
N-methoxy-1-[2-(phosphanyloxymethyl)phenyl]ethanimine
CID 72608293
methyl (2E)-2-methoxyimino-2-[2-[[(Z)-1-(5-methylthiadiazol-4-yl)ethylideneamino]oxymethyl]phenyl]acetate
CID 130291848
methyl (Z)-3-hydroxy-2-[2-[[(E)-[(3E)-3-methoxyiminobutan-2-ylidene]amino]oxymethyl]phenyl]prop-2-enoate
CID 59973026

Frequently Asked Questions

What is the IUPAC name of N-[[2-[C-(4,5-dihydro-1H-imidazol-2-yl)-N-methoxycarbonimidoyl]phenyl]methoxy]propan-2-imine?
The IUPAC name of N-[[2-[C-(4,5-dihydro-1H-imidazol-2-yl)-N-methoxycarbonimidoyl]phenyl]methoxy]propan-2-imine (CID 72599746) is N-[[2-[C-(4,5-dihydro-1H-imidazol-2-yl)-N-methoxycarbonimidoyl]phenyl]methoxy]propan-2-imine.
What is the SMILES notation for N-[[2-[C-(4,5-dihydro-1H-imidazol-2-yl)-N-methoxycarbonimidoyl]phenyl]methoxy]propan-2-imine?
The canonical SMILES for N-[[2-[C-(4,5-dihydro-1H-imidazol-2-yl)-N-methoxycarbonimidoyl]phenyl]methoxy]propan-2-imine is CON=C(C1=NCCN1)c1ccccc1CON=C(C)C.
What is the InChIKey of N-[[2-[C-(4,5-dihydro-1H-imidazol-2-yl)-N-methoxycarbonimidoyl]phenyl]methoxy]propan-2-imine?
The InChIKey is NBTRAACQUJDPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(2)18-21-10-12-6-4-5-7-13(12)14(19-20-3)15-16-8-9-17-15/h4-7H,8-10H2,1-3H3,(H,16,17).
What are the key properties of N-[[2-[C-(4,5-dihydro-1H-imidazol-2-yl)-N-methoxycarbonimidoyl]phenyl]methoxy]propan-2-imine?
N-[[2-[C-(4,5-dihydro-1H-imidazol-2-yl)-N-methoxycarbonimidoyl]phenyl]methoxy]propan-2-imine has a molecular weight of 288.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[C-(4,5-dihydro-1H-imidazol-2-yl)-N-methoxycarbonimidoyl]phenyl]methoxy]propan-2-imine is sourced from PubChem (CID 72599746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).