2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N,N-diethylacetamide

C18H25N5O3 — CID 168630145

IUPAC2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(C=Nn2cc(C)nc2N)cc1OC
InChIInChI=1S/C18H25N5O3/c1-5-22(6-2)17(24)12-26-15-8-7-14(9-16(15)25-4)10-20-23-11-13(3)21-18(23)19/h7-11H,5-6,12H2,1-4H3,(H2,19,21)
InChIKeyOKFNBIJZFDTZFB-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.91
Rot. Bonds8

About 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N,N-diethylacetamide

2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N,N-diethylacetamide (PubChem CID 168630145) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N,N-diethylacetamide
PubChem CID168630145
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(C=Nn2cc(C)nc2N)cc1OC
InChIInChI=1S/C18H25N5O3/c1-5-22(6-2)17(24)12-26-15-8-7-14(9-16(15)25-4)10-20-23-11-13(3)21-18(23)19/h7-11H,5-6,12H2,1-4H3,(H2,19,21)
InChIKeyOKFNBIJZFDTZFB-UHFFFAOYSA-N
XLogP1.91
TPSA94.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetate
CID 168629904
1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630629
2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
CID 168630621
3-[[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]methyl]-4-methoxybenzaldehyde
CID 168630555
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631305
1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629415
N,N-diethyl-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 78766081
1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630067
1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630138
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N,N-diethylacetamide (CID 168630145) is 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N,N-diethylacetamide is CCN(CC)C(=O)COc1ccc(C=Nn2cc(C)nc2N)cc1OC.
What is the InChIKey of 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N,N-diethylacetamide?
The InChIKey is OKFNBIJZFDTZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-5-22(6-2)17(24)12-26-15-8-7-14(9-16(15)25-4)10-20-23-11-13(3)21-18(23)19/h7-11H,5-6,12H2,1-4H3,(H2,19,21).
What are the key properties of 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N,N-diethylacetamide?
2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N,N-diethylacetamide has a molecular weight of 359.43 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N,N-diethylacetamide is sourced from PubChem (CID 168630145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).