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

C10H8Cl3N3 — CID 106556588

IUPAC1-methyl-N-(2,4,5-trichlorophenyl)imidazol-2-amine
SMILESCn1ccnc1Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H8Cl3N3/c1-16-3-2-14-10(16)15-9-5-7(12)6(11)4-8(9)13/h2-5H,1H3,(H,14,15)
InChIKeyIXURORCGSWTSHM-UHFFFAOYSA-N
MW276.55 g/mol
LogP4.12
Rot. Bonds2

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

1-methyl-N-(2,4,5-trichlorophenyl)imidazol-2-amine (PubChem CID 106556588) has the molecular formula C10H8Cl3N3 and a molecular weight of 276.55 g/mol. Its IUPAC name is 1-methyl-N-(2,4,5-trichlorophenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-(2,4,5-trichlorophenyl)imidazol-2-amine
PubChem CID106556588
Molecular FormulaC10H8Cl3N3
Molecular Weight276.55 g/mol
Exact Mass274.98
IUPAC Name1-methyl-N-(2,4,5-trichlorophenyl)imidazol-2-amine
SMILESCn1ccnc1Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H8Cl3N3/c1-16-3-2-14-10(16)15-9-5-7(12)6(11)4-8(9)13/h2-5H,1H3,(H,14,15)
InChIKeyIXURORCGSWTSHM-UHFFFAOYSA-N
XLogP4.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.55
LogP ≤ 54.12
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

N-(3-chlorophenyl)-1-methylimidazol-2-amine
CID 68890475
N-(4-bromo-2-methylphenyl)-1-methylimidazol-2-amine
CID 106556434
N-[2-(chloromethyl)phenyl]-1-methylimidazol-2-amine
CID 65027388
1,3-dimethyl-N-(1-methylimidazol-2-yl)pyrazol-4-amine
CID 102806061
N-(2-chloro-6-fluorophenyl)-1-methylimidazol-2-amine
CID 106582347
N-(4-bromo-5-fluoro-2-methylphenyl)-1-methylimidazol-2-amine
CID 106582320
N-(3-bromo-2-methylphenyl)-1-methylimidazol-2-amine
CID 107627985
N-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-amine
CID 106556357
N-(3-fluoro-5-methylphenyl)-1-methylimidazol-2-amine
CID 106576252
6-N-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-4,6-diamine
CID 80759397
N-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine
CID 107532048
N-(4-bromo-3-fluorophenyl)-1-methylimidazol-2-amine
CID 106574267

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2,4,5-trichlorophenyl)imidazol-2-amine?
The IUPAC name of 1-methyl-N-(2,4,5-trichlorophenyl)imidazol-2-amine (CID 106556588) is 1-methyl-N-(2,4,5-trichlorophenyl)imidazol-2-amine.
What is the SMILES notation for 1-methyl-N-(2,4,5-trichlorophenyl)imidazol-2-amine?
The canonical SMILES for 1-methyl-N-(2,4,5-trichlorophenyl)imidazol-2-amine is Cn1ccnc1Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 1-methyl-N-(2,4,5-trichlorophenyl)imidazol-2-amine?
The InChIKey is IXURORCGSWTSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3N3/c1-16-3-2-14-10(16)15-9-5-7(12)6(11)4-8(9)13/h2-5H,1H3,(H,14,15).
What are the key properties of 1-methyl-N-(2,4,5-trichlorophenyl)imidazol-2-amine?
1-methyl-N-(2,4,5-trichlorophenyl)imidazol-2-amine has a molecular weight of 276.55 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2,4,5-trichlorophenyl)imidazol-2-amine is sourced from PubChem (CID 106556588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).