1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine

C24H24N4O2 — CID 168630747

IUPAC1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCCOc1cc(C=Nn2cc(C)nc2N)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C24H24N4O2/c1-3-29-23-13-18(14-26-28-15-17(2)27-24(28)25)11-12-22(23)30-16-20-9-6-8-19-7-4-5-10-21(19)20/h4-15H,3,16H2,1-2H3,(H2,25,27)
InChIKeyXUIXDACKQZTXHY-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.79
Rot. Bonds7

About 1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168630747) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168630747
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCCOc1cc(C=Nn2cc(C)nc2N)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C24H24N4O2/c1-3-29-23-13-18(14-26-28-15-17(2)27-24(28)25)11-12-22(23)30-16-20-9-6-8-19-7-4-5-10-21(19)20/h4-15H,3,16H2,1-2H3,(H2,25,27)
InChIKeyXUIXDACKQZTXHY-UHFFFAOYSA-N
XLogP4.79
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.79
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-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630181
1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629270
3-[[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]methyl]-4-methoxybenzaldehyde
CID 168630555
1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630138
N-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126205495
1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630092
1-[[3-[(2-bromophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630248
4-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 3926337
5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-phenylmethoxybenzoic acid
CID 168629671
N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 3871763
1-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630518
1-[(2-methoxynaphthalen-1-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168628519

Frequently Asked Questions

What is the IUPAC name of 1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168630747) is 1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine is CCOc1cc(C=Nn2cc(C)nc2N)ccc1OCc1cccc2ccccc12.
What is the InChIKey of 1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is XUIXDACKQZTXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-3-29-23-13-18(14-26-28-15-17(2)27-24(28)25)11-12-22(23)30-16-20-9-6-8-19-7-4-5-10-21(19)20/h4-15H,3,16H2,1-2H3,(H2,25,27).
What are the key properties of 1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 400.48 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168630747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).