5-(7-bromo-1,3-benzodioxol-5-yl)-2-methyl-3-propan-2-ylimidazol-4-amine

C14H16BrN3O2 — CID 62224666

IUPAC5-(7-bromo-1,3-benzodioxol-5-yl)-2-methyl-3-propan-2-ylimidazol-4-amine
SMILESCc1nc(-c2cc(Br)c3c(c2)OCO3)c(N)n1C(C)C
InChIInChI=1S/C14H16BrN3O2/c1-7(2)18-8(3)17-12(14(18)16)9-4-10(15)13-11(5-9)19-6-20-13/h4-5,7H,6,16H2,1-3H3
InChIKeyVAILWDIWYBBWOQ-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.51
Rot. Bonds2

About 5-(7-bromo-1,3-benzodioxol-5-yl)-2-methyl-3-propan-2-ylimidazol-4-amine

5-(7-bromo-1,3-benzodioxol-5-yl)-2-methyl-3-propan-2-ylimidazol-4-amine (PubChem CID 62224666) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 5-(7-bromo-1,3-benzodioxol-5-yl)-2-methyl-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(7-bromo-1,3-benzodioxol-5-yl)-2-methyl-3-propan-2-ylimidazol-4-amine
PubChem CID62224666
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name5-(7-bromo-1,3-benzodioxol-5-yl)-2-methyl-3-propan-2-ylimidazol-4-amine
SMILESCc1nc(-c2cc(Br)c3c(c2)OCO3)c(N)n1C(C)C
InChIInChI=1S/C14H16BrN3O2/c1-7(2)18-8(3)17-12(14(18)16)9-4-10(15)13-11(5-9)19-6-20-13/h4-5,7H,6,16H2,1-3H3
InChIKeyVAILWDIWYBBWOQ-UHFFFAOYSA-N
XLogP3.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropylimidazole-1,5-diamine
CID 62483820
1-[2-(7-bromo-1,3-benzodioxol-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61283062
5-(7-bromo-1,3-benzodioxol-5-yl)-3-tert-butylimidazol-4-amine
CID 62018116
5-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropyl-3-ethylimidazol-4-amine
CID 62218591
2-(7-bromo-1,3-benzodioxol-5-yl)-6-propan-2-ylpyrimidin-4-amine
CID 62204227
5-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propan-2-ylimidazol-4-amine
CID 62017169
5-(3-bromophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine
CID 55047681
5-(7-chloro-1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazol-4-amine
CID 62224476
5-(7-chloro-1,3-benzodioxol-5-yl)-3-propan-2-ylimidazol-4-amine
CID 62019769
2-methyl-3-propan-2-yl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
CID 62223948
2-(7-bromo-1,3-benzodioxol-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114360710
2-(7-bromo-1,3-benzodioxol-5-yl)-4-chloro-6-methyl-5-propan-2-ylpyrimidine
CID 63405600

Frequently Asked Questions

What is the IUPAC name of 5-(7-bromo-1,3-benzodioxol-5-yl)-2-methyl-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(7-bromo-1,3-benzodioxol-5-yl)-2-methyl-3-propan-2-ylimidazol-4-amine (CID 62224666) is 5-(7-bromo-1,3-benzodioxol-5-yl)-2-methyl-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(7-bromo-1,3-benzodioxol-5-yl)-2-methyl-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(7-bromo-1,3-benzodioxol-5-yl)-2-methyl-3-propan-2-ylimidazol-4-amine is Cc1nc(-c2cc(Br)c3c(c2)OCO3)c(N)n1C(C)C.
What is the InChIKey of 5-(7-bromo-1,3-benzodioxol-5-yl)-2-methyl-3-propan-2-ylimidazol-4-amine?
The InChIKey is VAILWDIWYBBWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-7(2)18-8(3)17-12(14(18)16)9-4-10(15)13-11(5-9)19-6-20-13/h4-5,7H,6,16H2,1-3H3.
What are the key properties of 5-(7-bromo-1,3-benzodioxol-5-yl)-2-methyl-3-propan-2-ylimidazol-4-amine?
5-(7-bromo-1,3-benzodioxol-5-yl)-2-methyl-3-propan-2-ylimidazol-4-amine has a molecular weight of 338.21 g/mol, XLogP of 3.51, 2 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-methyl-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 62224666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).