5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-amine

C11H11N3O2 — CID 647601

IUPAC5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-amine
SMILESCn1c(-c2ccc3c(c2)OCO3)cnc1N
InChIInChI=1S/C11H11N3O2/c1-14-8(5-13-11(14)12)7-2-3-9-10(4-7)16-6-15-9/h2-5H,6H2,1H3,(H2,12,13)
InChIKeyIFFMVHLRENHEPF-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.40
Rot. Bonds1

About 5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-amine

5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-amine (PubChem CID 647601) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-amine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-amine
PubChem CID647601
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-amine
SMILESCn1c(-c2ccc3c(c2)OCO3)cnc1N
InChIInChI=1S/C11H11N3O2/c1-14-8(5-13-11(14)12)7-2-3-9-10(4-7)16-6-15-9/h2-5H,6H2,1H3,(H2,12,13)
InChIKeyIFFMVHLRENHEPF-UHFFFAOYSA-N
XLogP1.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Leucettamine A
CID 10021742
5-(4-methoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 1132944
Ndt-9513727
CID 10210160
2-(1,3-Benzodioxol-5-yl)-3-bromoimidazo[1,2-a]pyrimidine
CID 5170670
6-(3,4-Dimethoxyphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 715685
(3-Methoxy-benzyl)-(1-methyl-5-phenyl-1H-imidazol-2-yl)-amine
CID 1096451
4-(1,3-Benzodioxol-5-yl)-2-methylpyrimidine
CID 1477776
Preclathridine A
CID 5324779
8-Benzo[1,3]dioxol-,5-ylmethyl-9-butyl-9H-
CID 448968
1-Benzyl-4-(4-methoxyphenyl)-1h-imidazole
CID 6539910
Benzo[1,3]dioxol-5-ylmethyl-(2-phenyl-imidazo[1,2-a]pyridin-3-yl)-amine
CID 857997
Benzo[1,3]dioxol-5-ylmethyl-[2-(4-methoxy-phenyl)-imidazo[1,2-a]pyridin-3-yl]-amine
CID 3205757

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-amine?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-amine (CID 647601) is 5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-amine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-amine?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-amine is Cn1c(-c2ccc3c(c2)OCO3)cnc1N.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-amine?
The InChIKey is IFFMVHLRENHEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-14-8(5-13-11(14)12)7-2-3-9-10(4-7)16-6-15-9/h2-5H,6H2,1H3,(H2,12,13).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-amine?
5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-amine has a molecular weight of 217.23 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-amine is sourced from PubChem (CID 647601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).