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

C14H17F2N3O — CID 79504806

IUPAC5-(3,4-difluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(F)c(F)c2)N1CC1CCCO1
InChIInChI=1S/C14H17F2N3O/c15-11-4-3-9(6-12(11)16)13-7-18-14(17)19(13)8-10-2-1-5-20-10/h3-4,6,10,13H,1-2,5,7-8H2,(H2,17,18)
InChIKeyVQZXPJRZDOWNBP-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.82
Rot. Bonds3

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

5-(3,4-difluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79504806) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID79504806
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name5-(3,4-difluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(F)c(F)c2)N1CC1CCCO1
InChIInChI=1S/C14H17F2N3O/c15-11-4-3-9(6-12(11)16)13-7-18-14(17)19(13)8-10-2-1-5-20-10/h3-4,6,10,13H,1-2,5,7-8H2,(H2,17,18)
InChIKeyVQZXPJRZDOWNBP-UHFFFAOYSA-N
XLogP1.82
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(3,4-difluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine (CID 79504806) is 5-(3,4-difluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2ccc(F)c(F)c2)N1CC1CCCO1.
What is the InChIKey of 5-(3,4-difluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is VQZXPJRZDOWNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c15-11-4-3-9(6-12(11)16)13-7-18-14(17)19(13)8-10-2-1-5-20-10/h3-4,6,10,13H,1-2,5,7-8H2,(H2,17,18).
What are the key properties of 5-(3,4-difluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
5-(3,4-difluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 281.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79504806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).