N-[(2,4-dimethoxyphenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine

C21H25N3O3 — CID 5194443

IUPACN-[(2,4-dimethoxyphenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine
SMILESCCOc1ccc(-c2cnc(NCc3ccc(OC)cc3OC)n2C)cc1
InChIInChI=1S/C21H25N3O3/c1-5-27-17-9-6-15(7-10-17)19-14-23-21(24(19)2)22-13-16-8-11-18(25-3)12-20(16)26-4/h6-12,14H,5,13H2,1-4H3,(H,22,23)
InChIKeyPZBYBVJICGCXKT-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.12
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine

N-[(2,4-dimethoxyphenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine (PubChem CID 5194443) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine
PubChem CID5194443
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine
SMILESCCOc1ccc(-c2cnc(NCc3ccc(OC)cc3OC)n2C)cc1
InChIInChI=1S/C21H25N3O3/c1-5-27-17-9-6-15(7-10-17)19-14-23-21(24(19)2)22-13-16-8-11-18(25-3)12-20(16)26-4/h6-12,14H,5,13H2,1-4H3,(H,22,23)
InChIKeyPZBYBVJICGCXKT-UHFFFAOYSA-N
XLogP4.12
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine (CID 5194443) is N-[(2,4-dimethoxyphenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine is CCOc1ccc(-c2cnc(NCc3ccc(OC)cc3OC)n2C)cc1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine?
The InChIKey is PZBYBVJICGCXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-5-27-17-9-6-15(7-10-17)19-14-23-21(24(19)2)22-13-16-8-11-18(25-3)12-20(16)26-4/h6-12,14H,5,13H2,1-4H3,(H,22,23).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine?
N-[(2,4-dimethoxyphenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine has a molecular weight of 367.45 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine is sourced from PubChem (CID 5194443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).