1-butan-2-yl-5-(4-chloro-2-fluorophenyl)-4,5-dihydroimidazol-2-amine

C13H17ClFN3 — CID 114867777

IUPAC1-butan-2-yl-5-(4-chloro-2-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1c1ccc(Cl)cc1F
InChIInChI=1S/C13H17ClFN3/c1-3-8(2)18-12(7-17-13(18)16)10-5-4-9(14)6-11(10)15/h4-6,8,12H,3,7H2,1-2H3,(H2,16,17)
InChIKeyCYCDQUDKLGOXBJ-UHFFFAOYSA-N
MW269.75 g/mol
LogP2.95
Rot. Bonds3

About 1-butan-2-yl-5-(4-chloro-2-fluorophenyl)-4,5-dihydroimidazol-2-amine

1-butan-2-yl-5-(4-chloro-2-fluorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 114867777) has the molecular formula C13H17ClFN3 and a molecular weight of 269.75 g/mol. Its IUPAC name is 1-butan-2-yl-5-(4-chloro-2-fluorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-(4-chloro-2-fluorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID114867777
Molecular FormulaC13H17ClFN3
Molecular Weight269.75 g/mol
Exact Mass269.11
IUPAC Name1-butan-2-yl-5-(4-chloro-2-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1c1ccc(Cl)cc1F
InChIInChI=1S/C13H17ClFN3/c1-3-8(2)18-12(7-17-13(18)16)10-5-4-9(14)6-11(10)15/h4-6,8,12H,3,7H2,1-2H3,(H2,16,17)
InChIKeyCYCDQUDKLGOXBJ-UHFFFAOYSA-N
XLogP2.95
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 52.95
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-5-(4-chloro-2-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-butan-2-yl-5-(4-chloro-2-fluorophenyl)-4,5-dihydroimidazol-2-amine (CID 114867777) is 1-butan-2-yl-5-(4-chloro-2-fluorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-butan-2-yl-5-(4-chloro-2-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-butan-2-yl-5-(4-chloro-2-fluorophenyl)-4,5-dihydroimidazol-2-amine is CCC(C)N1C(N)=NCC1c1ccc(Cl)cc1F.
What is the InChIKey of 1-butan-2-yl-5-(4-chloro-2-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is CYCDQUDKLGOXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN3/c1-3-8(2)18-12(7-17-13(18)16)10-5-4-9(14)6-11(10)15/h4-6,8,12H,3,7H2,1-2H3,(H2,16,17).
What are the key properties of 1-butan-2-yl-5-(4-chloro-2-fluorophenyl)-4,5-dihydroimidazol-2-amine?
1-butan-2-yl-5-(4-chloro-2-fluorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 269.75 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-(4-chloro-2-fluorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 114867777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).