4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-amine

C20H23N3O3 — CID 5324778

IUPAC4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-amine
SMILESCOc1ccc(Cn2cc(Cc3ccc(OC)c(OC)c3)nc2N)cc1
InChIInChI=1S/C20H23N3O3/c1-24-17-7-4-14(5-8-17)12-23-13-16(22-20(23)21)10-15-6-9-18(25-2)19(11-15)26-3/h4-9,11,13H,10,12H2,1-3H3,(H2,21,22)
InChIKeyNAVLFLWMOIRLJG-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.13
Rot. Bonds7

About 4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-amine

4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-amine (PubChem CID 5324778) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-amine
PubChem CID5324778
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-amine
SMILESCOc1ccc(Cn2cc(Cc3ccc(OC)c(OC)c3)nc2N)cc1
InChIInChI=1S/C20H23N3O3/c1-24-17-7-4-14(5-8-17)12-23-13-16(22-20(23)21)10-15-6-9-18(25-2)19(11-15)26-3/h4-9,11,13H,10,12H2,1-3H3,(H2,21,22)
InChIKeyNAVLFLWMOIRLJG-UHFFFAOYSA-N
XLogP3.13
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-amine?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-amine (CID 5324778) is 4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-amine.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-amine?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-amine is COc1ccc(Cn2cc(Cc3ccc(OC)c(OC)c3)nc2N)cc1.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-amine?
The InChIKey is NAVLFLWMOIRLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-24-17-7-4-14(5-8-17)12-23-13-16(22-20(23)21)10-15-6-9-18(25-2)19(11-15)26-3/h4-9,11,13H,10,12H2,1-3H3,(H2,21,22).
What are the key properties of 4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-amine?
4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-amine has a molecular weight of 353.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 5324778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).