5-(1,3-benzodioxol-5-yl)-1-ethyl-4,5-dihydroimidazol-2-amine

C12H15N3O2 — CID 79509495

IUPAC5-(1,3-benzodioxol-5-yl)-1-ethyl-4,5-dihydroimidazol-2-amine
SMILESCCN1C(N)=NCC1c1ccc2c(c1)OCO2
InChIInChI=1S/C12H15N3O2/c1-2-15-9(6-14-12(15)13)8-3-4-10-11(5-8)17-7-16-10/h3-5,9H,2,6-7H2,1H3,(H2,13,14)
InChIKeyACHCSXTWKIICBO-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.11
Rot. Bonds2

About 5-(1,3-benzodioxol-5-yl)-1-ethyl-4,5-dihydroimidazol-2-amine

5-(1,3-benzodioxol-5-yl)-1-ethyl-4,5-dihydroimidazol-2-amine (PubChem CID 79509495) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-1-ethyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-1-ethyl-4,5-dihydroimidazol-2-amine
PubChem CID79509495
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-(1,3-benzodioxol-5-yl)-1-ethyl-4,5-dihydroimidazol-2-amine
SMILESCCN1C(N)=NCC1c1ccc2c(c1)OCO2
InChIInChI=1S/C12H15N3O2/c1-2-15-9(6-14-12(15)13)8-3-4-10-11(5-8)17-7-16-10/h3-5,9H,2,6-7H2,1H3,(H2,13,14)
InChIKeyACHCSXTWKIICBO-UHFFFAOYSA-N
XLogP1.11
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)-2,6-dimethylphenol
CID 79509280
5-(7-bromo-1,3-benzodioxol-5-yl)-1-propyl-4,5-dihydroimidazol-2-amine
CID 79510062
1-ethyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79510728
1-[2-(diethylamino)ethyl]-5-(3,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine
CID 79500886
5-(5-bromothiophen-2-yl)-1-ethyl-4,5-dihydroimidazol-2-amine
CID 79509949
2-(1,3-benzodioxol-5-yl)-3-ethylsulfonylcyclopropan-1-amine
CID 102569467
5-(3,4-difluorophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine
CID 79504700
2-(1,3-benzodioxol-5-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 23345224
3-(1,3-benzodioxol-5-yl)-N-methylsulfanyl-3,4-dihydropyrazole-2-carboxamide
CID 166734072
[2-(1,3-benzodioxol-5-yl)-3-ethylsulfonylcyclopropyl]methanamine
CID 102569457
diethyl 4-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1256229
2-(1,3-benzodioxol-5-yl)cyclopentane-1,3-dione
CID 121015997

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-ethyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-ethyl-4,5-dihydroimidazol-2-amine (CID 79509495) is 5-(1,3-benzodioxol-5-yl)-1-ethyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-1-ethyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-1-ethyl-4,5-dihydroimidazol-2-amine is CCN1C(N)=NCC1c1ccc2c(c1)OCO2.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-1-ethyl-4,5-dihydroimidazol-2-amine?
The InChIKey is ACHCSXTWKIICBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-15-9(6-14-12(15)13)8-3-4-10-11(5-8)17-7-16-10/h3-5,9H,2,6-7H2,1H3,(H2,13,14).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-1-ethyl-4,5-dihydroimidazol-2-amine?
5-(1,3-benzodioxol-5-yl)-1-ethyl-4,5-dihydroimidazol-2-amine has a molecular weight of 233.27 g/mol, XLogP of 1.11, 2 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-ethyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79509495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).