7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine

C14H10Cl3N3 — CID 115552270

IUPAC7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
SMILESCc1cccc2nc(N)n(-c3cc(Cl)c(Cl)cc3Cl)c12
InChIInChI=1S/C14H10Cl3N3/c1-7-3-2-4-11-13(7)20(14(18)19-11)12-6-9(16)8(15)5-10(12)17/h2-6H,1H3,(H2,18,19)
InChIKeyNRJZUSSZJOREDT-UHFFFAOYSA-N
MW326.61 g/mol
LogP4.88
Rot. Bonds1

About 7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine

7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine (PubChem CID 115552270) has the molecular formula C14H10Cl3N3 and a molecular weight of 326.61 g/mol. Its IUPAC name is 7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
PubChem CID115552270
Molecular FormulaC14H10Cl3N3
Molecular Weight326.61 g/mol
Exact Mass324.99
IUPAC Name7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
SMILESCc1cccc2nc(N)n(-c3cc(Cl)c(Cl)cc3Cl)c12
InChIInChI=1S/C14H10Cl3N3/c1-7-3-2-4-11-13(7)20(14(18)19-11)12-6-9(16)8(15)5-10(12)17/h2-6H,1H3,(H2,18,19)
InChIKeyNRJZUSSZJOREDT-UHFFFAOYSA-N
XLogP4.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.61
LogP ≤ 54.88
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-(4-chloro-2-fluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552345
1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine
CID 115552616
1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552264
1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427
1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552268
7-chloro-1-(2-chlorophenyl)benzimidazol-2-amine
CID 43661829
7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 115552254
7-chloro-1-(2,3-dichlorophenyl)benzimidazol-2-amine
CID 43661869
1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine
CID 115552389
7-chloro-1-(1,3-dimethylpyrazol-4-yl)benzimidazol-2-amine
CID 102806317
1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine
CID 115552236
1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine
CID 115552506

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine?
The IUPAC name of 7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine (CID 115552270) is 7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine.
What is the SMILES notation for 7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine?
The canonical SMILES for 7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine is Cc1cccc2nc(N)n(-c3cc(Cl)c(Cl)cc3Cl)c12.
What is the InChIKey of 7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine?
The InChIKey is NRJZUSSZJOREDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3/c1-7-3-2-4-11-13(7)20(14(18)19-11)12-6-9(16)8(15)5-10(12)17/h2-6H,1H3,(H2,18,19).
What are the key properties of 7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine?
7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine has a molecular weight of 326.61 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine is sourced from PubChem (CID 115552270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).