1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazol-2-amine

C13H11F2N3O2 — CID 106557535

IUPAC1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazol-2-amine
SMILESFC1(F)Oc2ccc(Nc3nccn3C3CC3)cc2O1
InChIInChI=1S/C13H11F2N3O2/c14-13(15)19-10-4-1-8(7-11(10)20-13)17-12-16-5-6-18(12)9-2-3-9/h1,4-7,9H,2-3H2,(H,16,17)
InChIKeyQVXLNSXCOMKWIB-UHFFFAOYSA-N
MW279.25 g/mol
LogP3.28
Rot. Bonds3

About 1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazol-2-amine

1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazol-2-amine (PubChem CID 106557535) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazol-2-amine
PubChem CID106557535
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC Name1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazol-2-amine
SMILESFC1(F)Oc2ccc(Nc3nccn3C3CC3)cc2O1
InChIInChI=1S/C13H11F2N3O2/c14-13(15)19-10-4-1-8(7-11(10)20-13)17-12-16-5-6-18(12)9-2-3-9/h1,4-7,9H,2-3H2,(H,16,17)
InChIKeyQVXLNSXCOMKWIB-UHFFFAOYSA-N
XLogP3.28
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-(4-fluorophenyl)imidazol-2-amine
CID 106558712
1-cyclopropyl-N-(3-fluoro-4-methylphenyl)imidazol-2-amine
CID 106559430
1-cyclopropyl-N-(4-iodophenyl)imidazol-2-amine
CID 106554182
1-cyclopentyl-N-(4-fluorophenyl)imidazol-2-amine
CID 106558725
1-cyclopropyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557354
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187231
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106362708
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439849
N-(3-bromo-4-methoxyphenyl)-1-cyclohexylimidazol-2-amine
CID 106573937
3-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzene-1,3-diamine
CID 43245747
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 62524659
1-cyclopropyl-N-(2,5-dibromophenyl)imidazol-2-amine
CID 106566388

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazol-2-amine?
The IUPAC name of 1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazol-2-amine (CID 106557535) is 1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazol-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazol-2-amine?
The canonical SMILES for 1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazol-2-amine is FC1(F)Oc2ccc(Nc3nccn3C3CC3)cc2O1.
What is the InChIKey of 1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazol-2-amine?
The InChIKey is QVXLNSXCOMKWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2/c14-13(15)19-10-4-1-8(7-11(10)20-13)17-12-16-5-6-18(12)9-2-3-9/h1,4-7,9H,2-3H2,(H,16,17).
What are the key properties of 1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazol-2-amine?
1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazol-2-amine has a molecular weight of 279.25 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazol-2-amine is sourced from PubChem (CID 106557535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).