5-(4-methylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine

C13H19N3 — CID 79509112

IUPAC5-(4-methylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCc1ccc(C2CN=C(N)N2C(C)C)cc1
InChIInChI=1S/C13H19N3/c1-9(2)16-12(8-15-13(16)14)11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3,(H2,14,15)
InChIKeyLVUJFFGZJRBKQF-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.07
Rot. Bonds2

About 5-(4-methylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine

5-(4-methylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine (PubChem CID 79509112) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
PubChem CID79509112
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name5-(4-methylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCc1ccc(C2CN=C(N)N2C(C)C)cc1
InChIInChI=1S/C13H19N3/c1-9(2)16-12(8-15-13(16)14)11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3,(H2,14,15)
InChIKeyLVUJFFGZJRBKQF-UHFFFAOYSA-N
XLogP2.07
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(4-methylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine (CID 79509112) is 5-(4-methylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(4-methylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(4-methylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine is Cc1ccc(C2CN=C(N)N2C(C)C)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is LVUJFFGZJRBKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9(2)16-12(8-15-13(16)14)11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3,(H2,14,15).
What are the key properties of 5-(4-methylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
5-(4-methylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 217.32 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79509112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).