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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Related Compounds

5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-phenylphenyl)methyl]imidazol-2-amine
CID 4274772
5-(1,3-benzodioxol-5-yl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 1096543
5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 646935
4-[[[5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-yl]amino]methyl]-2-bromo-6-methoxyphenol
CID 3391166
5-(1,3-benzodioxol-5-yl)-N-[(3-chlorophenyl)methyl]-1-methylimidazol-2-amine
CID 650427
5-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine
CID 4000715
5-(1,3-benzodioxol-5-yl)-N-[(3-chlorophenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
CID 650426
5-(3-methoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 126460185
4-[[[5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)imidazol-2-yl]amino]methyl]-2-bromo-6-methoxyphenol;oxalic acid
CID 163327051
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine
CID 1096489
5-(4-methoxyphenyl)-1-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
CID 138040977
N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
CID 126472407

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).