1-(3-methylphenyl)-5,5-dipropyl-4H-imidazol-2-amine

C16H25N3 — CID 79504838

IUPAC1-(3-methylphenyl)-5,5-dipropyl-4H-imidazol-2-amine
SMILESCCCC1(CCC)CN=C(N)N1c1cccc(C)c1
InChIInChI=1S/C16H25N3/c1-4-9-16(10-5-2)12-18-15(17)19(16)14-8-6-7-13(3)11-14/h6-8,11H,4-5,9-10,12H2,1-3H3,(H2,17,18)
InChIKeyWURZJDFYZMKKKN-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.47
Rot. Bonds5

About 1-(3-methylphenyl)-5,5-dipropyl-4H-imidazol-2-amine

1-(3-methylphenyl)-5,5-dipropyl-4H-imidazol-2-amine (PubChem CID 79504838) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-(3-methylphenyl)-5,5-dipropyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)-5,5-dipropyl-4H-imidazol-2-amine
PubChem CID79504838
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-(3-methylphenyl)-5,5-dipropyl-4H-imidazol-2-amine
SMILESCCCC1(CCC)CN=C(N)N1c1cccc(C)c1
InChIInChI=1S/C16H25N3/c1-4-9-16(10-5-2)12-18-15(17)19(16)14-8-6-7-13(3)11-14/h6-8,11H,4-5,9-10,12H2,1-3H3,(H2,17,18)
InChIKeyWURZJDFYZMKKKN-UHFFFAOYSA-N
XLogP3.47
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-5,5-dipropyl-4H-imidazol-2-amine?
The IUPAC name of 1-(3-methylphenyl)-5,5-dipropyl-4H-imidazol-2-amine (CID 79504838) is 1-(3-methylphenyl)-5,5-dipropyl-4H-imidazol-2-amine.
What is the SMILES notation for 1-(3-methylphenyl)-5,5-dipropyl-4H-imidazol-2-amine?
The canonical SMILES for 1-(3-methylphenyl)-5,5-dipropyl-4H-imidazol-2-amine is CCCC1(CCC)CN=C(N)N1c1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenyl)-5,5-dipropyl-4H-imidazol-2-amine?
The InChIKey is WURZJDFYZMKKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-9-16(10-5-2)12-18-15(17)19(16)14-8-6-7-13(3)11-14/h6-8,11H,4-5,9-10,12H2,1-3H3,(H2,17,18).
What are the key properties of 1-(3-methylphenyl)-5,5-dipropyl-4H-imidazol-2-amine?
1-(3-methylphenyl)-5,5-dipropyl-4H-imidazol-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-5,5-dipropyl-4H-imidazol-2-amine is sourced from PubChem (CID 79504838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).