N-cyclopropyl-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylimidazol-2-amine

C14H13F2N3O2 — CID 106557550

IUPACN-cyclopropyl-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylimidazol-2-amine
SMILESCc1cn(-c2ccc3c(c2)OC(F)(F)O3)c(NC2CC2)n1
InChIInChI=1S/C14H13F2N3O2/c1-8-7-19(13(17-8)18-9-2-3-9)10-4-5-11-12(6-10)21-14(15,16)20-11/h4-7,9H,2-3H2,1H3,(H,17,18)
InChIKeyYGGWKIDPPMBNSD-UHFFFAOYSA-N
MW293.27 g/mol
LogP3.08
Rot. Bonds3

About N-cyclopropyl-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylimidazol-2-amine

N-cyclopropyl-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylimidazol-2-amine (PubChem CID 106557550) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is N-cyclopropyl-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylimidazol-2-amine
PubChem CID106557550
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC NameN-cyclopropyl-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylimidazol-2-amine
SMILESCc1cn(-c2ccc3c(c2)OC(F)(F)O3)c(NC2CC2)n1
InChIInChI=1S/C14H13F2N3O2/c1-8-7-19(13(17-8)18-9-2-3-9)10-4-5-11-12(6-10)21-14(15,16)20-11/h4-7,9H,2-3H2,1H3,(H,17,18)
InChIKeyYGGWKIDPPMBNSD-UHFFFAOYSA-N
XLogP3.08
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-methyl-1-(4-propylphenyl)imidazol-2-amine
CID 106561564
1-(4-bromophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106558608
1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558666
1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558404
N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 107581397
N-cyclopentyl-1-(3-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106566756
1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropyl-4-methylimidazol-2-amine
CID 106574055
N-cyclohexyl-4-methyl-1-(1-methylpyrazol-4-yl)imidazol-2-amine
CID 106562135
N-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570979
N-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine
CID 106583716
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole
CID 176922321
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,5-dimethylpyrrole
CID 43394983

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylimidazol-2-amine?
The IUPAC name of N-cyclopropyl-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylimidazol-2-amine (CID 106557550) is N-cyclopropyl-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-cyclopropyl-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylimidazol-2-amine?
The canonical SMILES for N-cyclopropyl-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylimidazol-2-amine is Cc1cn(-c2ccc3c(c2)OC(F)(F)O3)c(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylimidazol-2-amine?
The InChIKey is YGGWKIDPPMBNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c1-8-7-19(13(17-8)18-9-2-3-9)10-4-5-11-12(6-10)21-14(15,16)20-11/h4-7,9H,2-3H2,1H3,(H,17,18).
What are the key properties of N-cyclopropyl-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylimidazol-2-amine?
N-cyclopropyl-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylimidazol-2-amine has a molecular weight of 293.27 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106557550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).