1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine

C15H20N4O2 — CID 168630643

IUPAC1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCCOc1cc(C=Nn2cc(C)nc2N)cc(OCC)c1
InChIInChI=1S/C15H20N4O2/c1-4-20-13-6-12(7-14(8-13)21-5-2)9-17-19-10-11(3)18-15(19)16/h6-10H,4-5H2,1-3H3,(H2,16,18)
InChIKeyHLCRGRGMSFBTDR-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.45
Rot. Bonds6

About 1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168630643) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168630643
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCCOc1cc(C=Nn2cc(C)nc2N)cc(OCC)c1
InChIInChI=1S/C15H20N4O2/c1-4-20-13-6-12(7-14(8-13)21-5-2)9-17-19-10-11(3)18-15(19)16/h6-10H,4-5H2,1-3H3,(H2,16,18)
InChIKeyHLCRGRGMSFBTDR-UHFFFAOYSA-N
XLogP2.45
TPSA74.66 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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630518
4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628762
1-[[3-(difluoromethoxy)-5-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630847
1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630190
1-[(3-ethoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629869
1-[(3-bromo-5-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628683
2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-chloro-6-ethoxyphenoxy]propanoic acid
CID 168629945
1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168628492
1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629559
1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630451
1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628950
1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628993

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168630643) is 1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is CCOc1cc(C=Nn2cc(C)nc2N)cc(OCC)c1.
What is the InChIKey of 1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is HLCRGRGMSFBTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-20-13-6-12(7-14(8-13)21-5-2)9-17-19-10-11(3)18-15(19)16/h6-10H,4-5H2,1-3H3,(H2,16,18).
What are the key properties of 1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 288.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168630643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).