N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

C10H10Cl2F3N3 — CID 24847055

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(Cl)c(NC2=NCCN2)c1
InChIInChI=1S/C10H9ClF3N3.ClH/c11-7-2-1-6(10(12,13)14)5-8(7)17-9-15-3-4-16-9;/h1-2,5H,3-4H2,(H2,15,16,17);1H
InChIKeyBGDJBXZOHXUEOF-UHFFFAOYSA-N
MW300.11 g/mol
LogP3.15
Rot. Bonds1

About N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (PubChem CID 24847055) has the molecular formula C10H10Cl2F3N3 and a molecular weight of 300.11 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
PubChem CID24847055
Molecular FormulaC10H10Cl2F3N3
Molecular Weight300.11 g/mol
Exact Mass299.02
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(Cl)c(NC2=NCCN2)c1
InChIInChI=1S/C10H9ClF3N3.ClH/c11-7-2-1-6(10(12,13)14)5-8(7)17-9-15-3-4-16-9;/h1-2,5H,3-4H2,(H2,15,16,17);1H
InChIKeyBGDJBXZOHXUEOF-UHFFFAOYSA-N
XLogP3.15
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (CID 24847055) is N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is Cl.FC(F)(F)c1ccc(Cl)c(NC2=NCCN2)c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The InChIKey is BGDJBXZOHXUEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3.ClH/c11-7-2-1-6(10(12,13)14)5-8(7)17-9-15-3-4-16-9;/h1-2,5H,3-4H2,(H2,15,16,17);1H.
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride has a molecular weight of 300.11 g/mol, XLogP of 3.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 24847055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).