3-methyl-5-(2,4,6-trimethoxyphenyl)imidazol-4-amine

C13H17N3O3 — CID 62016972

IUPAC3-methyl-5-(2,4,6-trimethoxyphenyl)imidazol-4-amine
SMILESCOc1cc(OC)c(-c2ncn(C)c2N)c(OC)c1
InChIInChI=1S/C13H17N3O3/c1-16-7-15-12(13(16)14)11-9(18-3)5-8(17-2)6-10(11)19-4/h5-7H,14H2,1-4H3
InChIKeyPXKROAYMCJTZNE-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.70
Rot. Bonds4

About 3-methyl-5-(2,4,6-trimethoxyphenyl)imidazol-4-amine

3-methyl-5-(2,4,6-trimethoxyphenyl)imidazol-4-amine (PubChem CID 62016972) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-methyl-5-(2,4,6-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-(2,4,6-trimethoxyphenyl)imidazol-4-amine
PubChem CID62016972
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-methyl-5-(2,4,6-trimethoxyphenyl)imidazol-4-amine
SMILESCOc1cc(OC)c(-c2ncn(C)c2N)c(OC)c1
InChIInChI=1S/C13H17N3O3/c1-16-7-15-12(13(16)14)11-9(18-3)5-8(17-2)6-10(11)19-4/h5-7H,14H2,1-4H3
InChIKeyPXKROAYMCJTZNE-UHFFFAOYSA-N
XLogP1.70
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2,4,6-trimethoxyphenyl)imidazol-4-amine?
The IUPAC name of 3-methyl-5-(2,4,6-trimethoxyphenyl)imidazol-4-amine (CID 62016972) is 3-methyl-5-(2,4,6-trimethoxyphenyl)imidazol-4-amine.
What is the SMILES notation for 3-methyl-5-(2,4,6-trimethoxyphenyl)imidazol-4-amine?
The canonical SMILES for 3-methyl-5-(2,4,6-trimethoxyphenyl)imidazol-4-amine is COc1cc(OC)c(-c2ncn(C)c2N)c(OC)c1.
What is the InChIKey of 3-methyl-5-(2,4,6-trimethoxyphenyl)imidazol-4-amine?
The InChIKey is PXKROAYMCJTZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-16-7-15-12(13(16)14)11-9(18-3)5-8(17-2)6-10(11)19-4/h5-7H,14H2,1-4H3.
What are the key properties of 3-methyl-5-(2,4,6-trimethoxyphenyl)imidazol-4-amine?
3-methyl-5-(2,4,6-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 263.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2,4,6-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 62016972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).