4-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropylimidazole-1,5-diamine

C13H13BrN4O2 — CID 62483820

IUPAC4-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropylimidazole-1,5-diamine
SMILESNc1c(-c2cc(Br)c3c(c2)OCO3)nc(C2CC2)n1N
InChIInChI=1S/C13H13BrN4O2/c14-8-3-7(4-9-11(8)20-5-19-9)10-12(15)18(16)13(17-10)6-1-2-6/h3-4,6H,1-2,5,15-16H2
InChIKeyWFBQQAUHHNDKJU-UHFFFAOYSA-N
MW337.18 g/mol
LogP2.21
Rot. Bonds2

About 4-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropylimidazole-1,5-diamine

4-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropylimidazole-1,5-diamine (PubChem CID 62483820) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 4-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropylimidazole-1,5-diamine.

Molecular Properties

Compound Name4-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropylimidazole-1,5-diamine
PubChem CID62483820
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name4-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropylimidazole-1,5-diamine
SMILESNc1c(-c2cc(Br)c3c(c2)OCO3)nc(C2CC2)n1N
InChIInChI=1S/C13H13BrN4O2/c14-8-3-7(4-9-11(8)20-5-19-9)10-12(15)18(16)13(17-10)6-1-2-6/h3-4,6H,1-2,5,15-16H2
InChIKeyWFBQQAUHHNDKJU-UHFFFAOYSA-N
XLogP2.21
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropylimidazole-1,5-diamine?
The IUPAC name of 4-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropylimidazole-1,5-diamine (CID 62483820) is 4-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropylimidazole-1,5-diamine.
What is the SMILES notation for 4-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropylimidazole-1,5-diamine?
The canonical SMILES for 4-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropylimidazole-1,5-diamine is Nc1c(-c2cc(Br)c3c(c2)OCO3)nc(C2CC2)n1N.
What is the InChIKey of 4-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropylimidazole-1,5-diamine?
The InChIKey is WFBQQAUHHNDKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c14-8-3-7(4-9-11(8)20-5-19-9)10-12(15)18(16)13(17-10)6-1-2-6/h3-4,6H,1-2,5,15-16H2.
What are the key properties of 4-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropylimidazole-1,5-diamine?
4-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropylimidazole-1,5-diamine has a molecular weight of 337.18 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropylimidazole-1,5-diamine is sourced from PubChem (CID 62483820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).