5-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropyl-3-ethylimidazol-4-amine

C15H16BrN3O2 — CID 62218591

IUPAC5-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropyl-3-ethylimidazol-4-amine
SMILESCCn1c(C2CC2)nc(-c2cc(Br)c3c(c2)OCO3)c1N
InChIInChI=1S/C15H16BrN3O2/c1-2-19-14(17)12(18-15(19)8-3-4-8)9-5-10(16)13-11(6-9)20-7-21-13/h5-6,8H,2-4,7,17H2,1H3
InChIKeyBGCCLARYFIHWAS-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.52
Rot. Bonds3

About 5-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropyl-3-ethylimidazol-4-amine

5-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropyl-3-ethylimidazol-4-amine (PubChem CID 62218591) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 5-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropyl-3-ethylimidazol-4-amine.

Molecular Properties

Compound Name5-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropyl-3-ethylimidazol-4-amine
PubChem CID62218591
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name5-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropyl-3-ethylimidazol-4-amine
SMILESCCn1c(C2CC2)nc(-c2cc(Br)c3c(c2)OCO3)c1N
InChIInChI=1S/C15H16BrN3O2/c1-2-19-14(17)12(18-15(19)8-3-4-8)9-5-10(16)13-11(6-9)20-7-21-13/h5-6,8H,2-4,7,17H2,1H3
InChIKeyBGCCLARYFIHWAS-UHFFFAOYSA-N
XLogP3.52
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropyl-3-ethylimidazol-4-amine?
The IUPAC name of 5-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropyl-3-ethylimidazol-4-amine (CID 62218591) is 5-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropyl-3-ethylimidazol-4-amine.
What is the SMILES notation for 5-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropyl-3-ethylimidazol-4-amine?
The canonical SMILES for 5-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropyl-3-ethylimidazol-4-amine is CCn1c(C2CC2)nc(-c2cc(Br)c3c(c2)OCO3)c1N.
What is the InChIKey of 5-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropyl-3-ethylimidazol-4-amine?
The InChIKey is BGCCLARYFIHWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-2-19-14(17)12(18-15(19)8-3-4-8)9-5-10(16)13-11(6-9)20-7-21-13/h5-6,8H,2-4,7,17H2,1H3.
What are the key properties of 5-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropyl-3-ethylimidazol-4-amine?
5-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropyl-3-ethylimidazol-4-amine has a molecular weight of 350.22 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropyl-3-ethylimidazol-4-amine is sourced from PubChem (CID 62218591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).