1-butan-2-yl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine

C9H18FN3 — CID 138502581

IUPAC1-butan-2-yl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1CCN=C1NCCF
InChIInChI=1S/C9H18FN3/c1-3-8(2)13-7-6-12-9(13)11-5-4-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyVPWRZDAXCYLVBE-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.02
Rot. Bonds4

About 1-butan-2-yl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine

1-butan-2-yl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 138502581) has the molecular formula C9H18FN3 and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-butan-2-yl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine
PubChem CID138502581
Molecular FormulaC9H18FN3
Molecular Weight187.26 g/mol
Exact Mass187.15
IUPAC Name1-butan-2-yl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1CCN=C1NCCF
InChIInChI=1S/C9H18FN3/c1-3-8(2)13-7-6-12-9(13)11-5-4-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyVPWRZDAXCYLVBE-UHFFFAOYSA-N
XLogP1.02
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-butan-2-yl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine (CID 138502581) is 1-butan-2-yl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-butan-2-yl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-butan-2-yl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine is CCC(C)N1CCN=C1NCCF.
What is the InChIKey of 1-butan-2-yl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is VPWRZDAXCYLVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN3/c1-3-8(2)13-7-6-12-9(13)11-5-4-10/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 1-butan-2-yl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine?
1-butan-2-yl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 187.26 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 138502581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).