5-(3-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine

C13H18ClN3 — CID 79496595

IUPAC5-(3-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)CN1C(N)=NCC1c1cccc(Cl)c1
InChIInChI=1S/C13H18ClN3/c1-9(2)8-17-12(7-16-13(17)15)10-4-3-5-11(14)6-10/h3-6,9,12H,7-8H2,1-2H3,(H2,15,16)
InChIKeyWCAMDFPOVXMNHO-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.67
Rot. Bonds3

About 5-(3-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine

5-(3-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79496595) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
PubChem CID79496595
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name5-(3-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)CN1C(N)=NCC1c1cccc(Cl)c1
InChIInChI=1S/C13H18ClN3/c1-9(2)8-17-12(7-16-13(17)15)10-4-3-5-11(14)6-10/h3-6,9,12H,7-8H2,1-2H3,(H2,15,16)
InChIKeyWCAMDFPOVXMNHO-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine (CID 79496595) is 5-(3-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine is CC(C)CN1C(N)=NCC1c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is WCAMDFPOVXMNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-9(2)8-17-12(7-16-13(17)15)10-4-3-5-11(14)6-10/h3-6,9,12H,7-8H2,1-2H3,(H2,15,16).
What are the key properties of 5-(3-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
5-(3-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 251.76 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79496595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).