1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine

C15H21N3 — CID 106558223

IUPAC1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1-c1cc(C)ccc1C
InChIInChI=1S/C15H21N3/c1-5-8-16-15-17-13(4)10-18(15)14-9-11(2)6-7-12(14)3/h6-7,9-10H,5,8H2,1-4H3,(H,16,17)
InChIKeyATECIHYMPJZSMA-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.62
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine

1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine (PubChem CID 106558223) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
PubChem CID106558223
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1-c1cc(C)ccc1C
InChIInChI=1S/C15H21N3/c1-5-8-16-15-17-13(4)10-18(15)14-9-11(2)6-7-12(14)3/h6-7,9-10H,5,8H2,1-4H3,(H,16,17)
InChIKeyATECIHYMPJZSMA-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-N,4-dimethylimidazol-2-amine
CID 106558212
N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine
CID 107628198
1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine
CID 106555636
1-(3,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559215
1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106556858
1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558751
1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106555469
1-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106580659
1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559729
1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559811
1-(2,4-dibromo-5-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106583526
N-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine
CID 106583625

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine (CID 106558223) is 1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine is CCCNc1nc(C)cn1-c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine?
The InChIKey is ATECIHYMPJZSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-5-8-16-15-17-13(4)10-18(15)14-9-11(2)6-7-12(14)3/h6-7,9-10H,5,8H2,1-4H3,(H,16,17).
What are the key properties of 1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine?
1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine is sourced from PubChem (CID 106558223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).