1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine

C21H24N4O2 — CID 168629270

IUPAC1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1ccc(C=Nn2cc(C)nc2N)cc1COc1c(C)cccc1C
InChIInChI=1S/C21H24N4O2/c1-14-6-5-7-15(2)20(14)27-13-18-10-17(8-9-19(18)26-4)11-23-25-12-16(3)24-21(25)22/h5-12H,13H2,1-4H3,(H2,22,24)
InChIKeySYBWXEYGHOTNEF-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.86
Rot. Bonds6

About 1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168629270) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168629270
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1ccc(C=Nn2cc(C)nc2N)cc1COc1c(C)cccc1C
InChIInChI=1S/C21H24N4O2/c1-14-6-5-7-15(2)20(14)27-13-18-10-17(8-9-19(18)26-4)11-23-25-12-16(3)24-21(25)22/h5-12H,13H2,1-4H3,(H2,22,24)
InChIKeySYBWXEYGHOTNEF-UHFFFAOYSA-N
XLogP3.86
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.86
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

3-[[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]methyl]-4-methoxybenzaldehyde
CID 168630555
1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629415
1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630747
1-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629278
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
1-[[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629441
1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630629
1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631305
methyl 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetate
CID 168629904
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-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628935

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168629270) is 1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine is COc1ccc(C=Nn2cc(C)nc2N)cc1COc1c(C)cccc1C.
What is the InChIKey of 1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is SYBWXEYGHOTNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-6-5-7-15(2)20(14)27-13-18-10-17(8-9-19(18)26-4)11-23-25-12-16(3)24-21(25)22/h5-12H,13H2,1-4H3,(H2,22,24).
What are the key properties of 1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 364.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168629270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).