5-(3-bromophenyl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole-2,4-diamine

C16H11BrF2N4O2 — CID 143168792

IUPAC5-(3-bromophenyl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole-2,4-diamine
SMILESNC1=NC(c2cccc(Br)c2)(c2ccc3c(c2)OC(F)(F)O3)C(N)=N1
InChIInChI=1S/C16H11BrF2N4O2/c17-10-3-1-2-8(6-10)15(13(20)22-14(21)23-15)9-4-5-11-12(7-9)25-16(18,19)24-11/h1-7H,(H4,20,21,22,23)
InChIKeySINUYTFSRQABLZ-UHFFFAOYSA-N
MW409.19 g/mol
LogP2.70
Rot. Bonds2

About 5-(3-bromophenyl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole-2,4-diamine

5-(3-bromophenyl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole-2,4-diamine (PubChem CID 143168792) has the molecular formula C16H11BrF2N4O2 and a molecular weight of 409.19 g/mol. Its IUPAC name is 5-(3-bromophenyl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole-2,4-diamine.

Molecular Properties

Compound Name5-(3-bromophenyl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole-2,4-diamine
PubChem CID143168792
Molecular FormulaC16H11BrF2N4O2
Molecular Weight409.19 g/mol
Exact Mass408.00
IUPAC Name5-(3-bromophenyl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole-2,4-diamine
SMILESNC1=NC(c2cccc(Br)c2)(c2ccc3c(c2)OC(F)(F)O3)C(N)=N1
InChIInChI=1S/C16H11BrF2N4O2/c17-10-3-1-2-8(6-10)15(13(20)22-14(21)23-15)9-4-5-11-12(7-9)25-16(18,19)24-11/h1-7H,(H4,20,21,22,23)
InChIKeySINUYTFSRQABLZ-UHFFFAOYSA-N
XLogP2.70
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.19
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-bromophenyl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole
CID 146634012
1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopentan-1-amine
CID 117354591
4-bromo-1-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzene-1,2-diamine
CID 29067009
4-amino-2-(3-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-5-thione
CID 87177926
3-(3-bromophenyl)-7-fluoro-3-(4-methoxyphenyl)isoindol-1-amine
CID 58579518
3-(2,2-difluoro-1,3-benzodioxol-5-yl)azetidin-3-amine;hydrochloride
CID 166607927
3-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzene-1,3-diamine
CID 43245747
5-bromo-2,2-diphenyl-1,3-benzodioxole
CID 22319515
1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile
CID 59188176
2-amino-5-(3-bromophenyl)-3-methyl-5-(5-methylthiophen-3-yl)imidazol-4-one
CID 143389257
2-amino-5-(3-bromo-4-fluorophenyl)-3-methyl-5-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)imidazol-4-one
CID 87728046
(8R)-8-(3-bromophenyl)-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 129386819

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole-2,4-diamine?
The IUPAC name of 5-(3-bromophenyl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole-2,4-diamine (CID 143168792) is 5-(3-bromophenyl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole-2,4-diamine.
What is the SMILES notation for 5-(3-bromophenyl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole-2,4-diamine?
The canonical SMILES for 5-(3-bromophenyl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole-2,4-diamine is NC1=NC(c2cccc(Br)c2)(c2ccc3c(c2)OC(F)(F)O3)C(N)=N1.
What is the InChIKey of 5-(3-bromophenyl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole-2,4-diamine?
The InChIKey is SINUYTFSRQABLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF2N4O2/c17-10-3-1-2-8(6-10)15(13(20)22-14(21)23-15)9-4-5-11-12(7-9)25-16(18,19)24-11/h1-7H,(H4,20,21,22,23).
What are the key properties of 5-(3-bromophenyl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole-2,4-diamine?
5-(3-bromophenyl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole-2,4-diamine has a molecular weight of 409.19 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole-2,4-diamine is sourced from PubChem (CID 143168792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).