1-cyclopropyl-5-(2,3-difluorophenyl)-4,5-dihydroimidazol-2-amine

C12H13F2N3 — CID 79509654

IUPAC1-cyclopropyl-5-(2,3-difluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cccc(F)c2F)N1C1CC1
InChIInChI=1S/C12H13F2N3/c13-9-3-1-2-8(11(9)14)10-6-16-12(15)17(10)7-4-5-7/h1-3,7,10H,4-6H2,(H2,15,16)
InChIKeyYWLTUXSWDBGAED-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.80
Rot. Bonds2

About 1-cyclopropyl-5-(2,3-difluorophenyl)-4,5-dihydroimidazol-2-amine

1-cyclopropyl-5-(2,3-difluorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79509654) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-cyclopropyl-5-(2,3-difluorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-5-(2,3-difluorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79509654
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name1-cyclopropyl-5-(2,3-difluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cccc(F)c2F)N1C1CC1
InChIInChI=1S/C12H13F2N3/c13-9-3-1-2-8(11(9)14)10-6-16-12(15)17(10)7-4-5-7/h1-3,7,10H,4-6H2,(H2,15,16)
InChIKeyYWLTUXSWDBGAED-UHFFFAOYSA-N
XLogP1.80
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(2,3-difluorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-cyclopropyl-5-(2,3-difluorophenyl)-4,5-dihydroimidazol-2-amine (CID 79509654) is 1-cyclopropyl-5-(2,3-difluorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-cyclopropyl-5-(2,3-difluorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-cyclopropyl-5-(2,3-difluorophenyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2cccc(F)c2F)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-(2,3-difluorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is YWLTUXSWDBGAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c13-9-3-1-2-8(11(9)14)10-6-16-12(15)17(10)7-4-5-7/h1-3,7,10H,4-6H2,(H2,15,16).
What are the key properties of 1-cyclopropyl-5-(2,3-difluorophenyl)-4,5-dihydroimidazol-2-amine?
1-cyclopropyl-5-(2,3-difluorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 237.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(2,3-difluorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79509654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).