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

C13H18ClN3 — CID 79521278

IUPAC5-butan-2-yl-1-(4-chlorophenyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)C1CN=C(N)N1c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3/c1-3-9(2)12-8-16-13(15)17(12)11-6-4-10(14)5-7-11/h4-7,9,12H,3,8H2,1-2H3,(H2,15,16)
InChIKeyBKFCSQAQYKRDRR-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.89
Rot. Bonds3

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

5-butan-2-yl-1-(4-chlorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79521278) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 5-butan-2-yl-1-(4-chlorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-butan-2-yl-1-(4-chlorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79521278
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name5-butan-2-yl-1-(4-chlorophenyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)C1CN=C(N)N1c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3/c1-3-9(2)12-8-16-13(15)17(12)11-6-4-10(14)5-7-11/h4-7,9,12H,3,8H2,1-2H3,(H2,15,16)
InChIKeyBKFCSQAQYKRDRR-UHFFFAOYSA-N
XLogP2.89
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(4-chlorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-butan-2-yl-1-(4-chlorophenyl)-4,5-dihydroimidazol-2-amine (CID 79521278) is 5-butan-2-yl-1-(4-chlorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-butan-2-yl-1-(4-chlorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-butan-2-yl-1-(4-chlorophenyl)-4,5-dihydroimidazol-2-amine is CCC(C)C1CN=C(N)N1c1ccc(Cl)cc1.
What is the InChIKey of 5-butan-2-yl-1-(4-chlorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is BKFCSQAQYKRDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-3-9(2)12-8-16-13(15)17(12)11-6-4-10(14)5-7-11/h4-7,9,12H,3,8H2,1-2H3,(H2,15,16).
What are the key properties of 5-butan-2-yl-1-(4-chlorophenyl)-4,5-dihydroimidazol-2-amine?
5-butan-2-yl-1-(4-chlorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 251.76 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(4-chlorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79521278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).