5-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine

C19H19N3O3 — CID 1096522

IUPAC5-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine
SMILESCOc1ccc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)cc1
InChIInChI=1S/C19H19N3O3/c1-22-16(14-5-8-17-18(9-14)25-12-24-17)11-21-19(22)20-10-13-3-6-15(23-2)7-4-13/h3-9,11H,10,12H2,1-2H3,(H,20,21)
InChIKeyZEVBHCWMLAPJRU-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.44
Rot. Bonds5

About 5-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine

5-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine (PubChem CID 1096522) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine
PubChem CID1096522
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine
SMILESCOc1ccc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)cc1
InChIInChI=1S/C19H19N3O3/c1-22-16(14-5-8-17-18(9-14)25-12-24-17)11-21-19(22)20-10-13-3-6-15(23-2)7-4-13/h3-9,11H,10,12H2,1-2H3,(H,20,21)
InChIKeyZEVBHCWMLAPJRU-UHFFFAOYSA-N
XLogP3.44
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine (CID 1096522) is 5-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine is COc1ccc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)cc1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine?
The InChIKey is ZEVBHCWMLAPJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-22-16(14-5-8-17-18(9-14)25-12-24-17)11-21-19(22)20-10-13-3-6-15(23-2)7-4-13/h3-9,11H,10,12H2,1-2H3,(H,20,21).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine?
5-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine has a molecular weight of 337.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine is sourced from PubChem (CID 1096522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).