N-(3,5-dimethylphenyl)-1-propan-2-ylimidazol-2-amine

C14H19N3 — CID 106559222

IUPACN-(3,5-dimethylphenyl)-1-propan-2-ylimidazol-2-amine
SMILESCc1cc(C)cc(Nc2nccn2C(C)C)c1
InChIInChI=1S/C14H19N3/c1-10(2)17-6-5-15-14(17)16-13-8-11(3)7-12(4)9-13/h5-10H,1-4H3,(H,15,16)
InChIKeyFLYCBPPDLUJPPY-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.82
Rot. Bonds3

About N-(3,5-dimethylphenyl)-1-propan-2-ylimidazol-2-amine

N-(3,5-dimethylphenyl)-1-propan-2-ylimidazol-2-amine (PubChem CID 106559222) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-propan-2-ylimidazol-2-amine
PubChem CID106559222
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-(3,5-dimethylphenyl)-1-propan-2-ylimidazol-2-amine
SMILESCc1cc(C)cc(Nc2nccn2C(C)C)c1
InChIInChI=1S/C14H19N3/c1-10(2)17-6-5-15-14(17)16-13-8-11(3)7-12(4)9-13/h5-10H,1-4H3,(H,15,16)
InChIKeyFLYCBPPDLUJPPY-UHFFFAOYSA-N
XLogP3.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-1-propan-2-ylimidazol-2-amine (CID 106559222) is N-(3,5-dimethylphenyl)-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-propan-2-ylimidazol-2-amine is Cc1cc(C)cc(Nc2nccn2C(C)C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-propan-2-ylimidazol-2-amine?
The InChIKey is FLYCBPPDLUJPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)17-6-5-15-14(17)16-13-8-11(3)7-12(4)9-13/h5-10H,1-4H3,(H,15,16).
What are the key properties of N-(3,5-dimethylphenyl)-1-propan-2-ylimidazol-2-amine?
N-(3,5-dimethylphenyl)-1-propan-2-ylimidazol-2-amine has a molecular weight of 229.33 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106559222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).