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

C9H9Cl4N3 — CID 10470114

IUPACN-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.Clc1cc(Cl)c(NC2=NCCN2)c(Cl)c1
InChIInChI=1S/C9H8Cl3N3.ClH/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);1H
InChIKeyNSUDUONVVZVYDD-UHFFFAOYSA-N
MW301.00 g/mol
LogP3.44
Rot. Bonds1

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

N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (PubChem CID 10470114) has the molecular formula C9H9Cl4N3 and a molecular weight of 301.00 g/mol. Its IUPAC name is N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
PubChem CID10470114
Molecular FormulaC9H9Cl4N3
Molecular Weight301.00 g/mol
Exact Mass298.96
IUPAC NameN-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.Clc1cc(Cl)c(NC2=NCCN2)c(Cl)c1
InChIInChI=1S/C9H8Cl3N3.ClH/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);1H
InChIKeyNSUDUONVVZVYDD-UHFFFAOYSA-N
XLogP3.44
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.00
LogP ≤ 53.44
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;hydrochloride?
The IUPAC name of N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (CID 10470114) is N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is Cl.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;hydrochloride?
The InChIKey is NSUDUONVVZVYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3N3.ClH/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);1H.
What are the key properties of N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride has a molecular weight of 301.00 g/mol, XLogP of 3.44, 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;hydrochloride is sourced from PubChem (CID 10470114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).