N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine

C9H8Cl3N3 — CID 10470115

IUPACN-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESClc1cc(Cl)c(NC2=NCCN2)c(Cl)c1
InChIInChI=1S/C9H8Cl3N3/c10-5-3-6(11)8(7(12)4-5)15-9-13-1-2-14-9/h3-4H,1-2H2,(H2,13,14,15)
InChIKeyREGMPMOUDUTRSJ-UHFFFAOYSA-N
MW264.54 g/mol
LogP3.02
Rot. Bonds1

About N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine

N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 10470115) has the molecular formula C9H8Cl3N3 and a molecular weight of 264.54 g/mol. Its IUPAC name is N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID10470115
Molecular FormulaC9H8Cl3N3
Molecular Weight264.54 g/mol
Exact Mass262.98
IUPAC NameN-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESClc1cc(Cl)c(NC2=NCCN2)c(Cl)c1
InChIInChI=1S/C9H8Cl3N3/c10-5-3-6(11)8(7(12)4-5)15-9-13-1-2-14-9/h3-4H,1-2H2,(H2,13,14,15)
InChIKeyREGMPMOUDUTRSJ-UHFFFAOYSA-N
XLogP3.02
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.54
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine (CID 10470115) is N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine is Clc1cc(Cl)c(NC2=NCCN2)c(Cl)c1.
What is the InChIKey of N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is REGMPMOUDUTRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3N3/c10-5-3-6(11)8(7(12)4-5)15-9-13-1-2-14-9/h3-4H,1-2H2,(H2,13,14,15).
What are the key properties of N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 264.54 g/mol, XLogP of 3.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 10470115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).