4-methyl-N-propan-2-yl-1-(2,4,5-trichlorophenyl)imidazol-2-amine

C13H14Cl3N3 — CID 106556563

IUPAC4-methyl-N-propan-2-yl-1-(2,4,5-trichlorophenyl)imidazol-2-amine
SMILESCc1cn(-c2cc(Cl)c(Cl)cc2Cl)c(NC(C)C)n1
InChIInChI=1S/C13H14Cl3N3/c1-7(2)17-13-18-8(3)6-19(13)12-5-10(15)9(14)4-11(12)16/h4-7H,1-3H3,(H,17,18)
InChIKeyNCOBIAYEORZMNS-UHFFFAOYSA-N
MW318.64 g/mol
LogP4.96
Rot. Bonds3

About 4-methyl-N-propan-2-yl-1-(2,4,5-trichlorophenyl)imidazol-2-amine

4-methyl-N-propan-2-yl-1-(2,4,5-trichlorophenyl)imidazol-2-amine (PubChem CID 106556563) has the molecular formula C13H14Cl3N3 and a molecular weight of 318.64 g/mol. Its IUPAC name is 4-methyl-N-propan-2-yl-1-(2,4,5-trichlorophenyl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-propan-2-yl-1-(2,4,5-trichlorophenyl)imidazol-2-amine
PubChem CID106556563
Molecular FormulaC13H14Cl3N3
Molecular Weight318.64 g/mol
Exact Mass317.03
IUPAC Name4-methyl-N-propan-2-yl-1-(2,4,5-trichlorophenyl)imidazol-2-amine
SMILESCc1cn(-c2cc(Cl)c(Cl)cc2Cl)c(NC(C)C)n1
InChIInChI=1S/C13H14Cl3N3/c1-7(2)17-13-18-8(3)6-19(13)12-5-10(15)9(14)4-11(12)16/h4-7H,1-3H3,(H,17,18)
InChIKeyNCOBIAYEORZMNS-UHFFFAOYSA-N
XLogP4.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106555482
4-methyl-N-propan-2-yl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570956
4-methyl-N-propan-2-yl-1-(3-propan-2-ylphenyl)imidazol-2-amine
CID 106560995
1-(3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106559929
4-methyl-N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
CID 106571585
1-(2,5-dichloro-4-methylphenyl)-4-methylimidazol-2-amine
CID 106580639
1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106560891
1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106583328
1-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106570211
4-methyl-1-(2-methylbutyl)-N-propan-2-ylimidazol-2-amine
CID 106570359
1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine
CID 106557943
1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
CID 106560864

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-yl-1-(2,4,5-trichlorophenyl)imidazol-2-amine?
The IUPAC name of 4-methyl-N-propan-2-yl-1-(2,4,5-trichlorophenyl)imidazol-2-amine (CID 106556563) is 4-methyl-N-propan-2-yl-1-(2,4,5-trichlorophenyl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-N-propan-2-yl-1-(2,4,5-trichlorophenyl)imidazol-2-amine?
The canonical SMILES for 4-methyl-N-propan-2-yl-1-(2,4,5-trichlorophenyl)imidazol-2-amine is Cc1cn(-c2cc(Cl)c(Cl)cc2Cl)c(NC(C)C)n1.
What is the InChIKey of 4-methyl-N-propan-2-yl-1-(2,4,5-trichlorophenyl)imidazol-2-amine?
The InChIKey is NCOBIAYEORZMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl3N3/c1-7(2)17-13-18-8(3)6-19(13)12-5-10(15)9(14)4-11(12)16/h4-7H,1-3H3,(H,17,18).
What are the key properties of 4-methyl-N-propan-2-yl-1-(2,4,5-trichlorophenyl)imidazol-2-amine?
4-methyl-N-propan-2-yl-1-(2,4,5-trichlorophenyl)imidazol-2-amine has a molecular weight of 318.64 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-yl-1-(2,4,5-trichlorophenyl)imidazol-2-amine is sourced from PubChem (CID 106556563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).