N-[[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

C11H11Cl2F3N4 — CID 146217329

IUPACN-[[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(Cl)c1C=NNC1=NCCN1
InChIInChI=1S/C11H10ClF3N4.ClH/c12-9-3-1-2-8(11(13,14)15)7(9)6-18-19-10-16-4-5-17-10;/h1-3,6H,4-5H2,(H2,16,17,19);1H
InChIKeyNJLNMGSDRRRJBX-UHFFFAOYSA-N
MW327.14 g/mol
LogP2.66
Rot. Bonds2

About N-[[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

N-[[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (PubChem CID 146217329) has the molecular formula C11H11Cl2F3N4 and a molecular weight of 327.14 g/mol. Its IUPAC name is N-[[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
PubChem CID146217329
Molecular FormulaC11H11Cl2F3N4
Molecular Weight327.14 g/mol
Exact Mass326.03
IUPAC NameN-[[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(Cl)c1C=NNC1=NCCN1
InChIInChI=1S/C11H10ClF3N4.ClH/c12-9-3-1-2-8(11(13,14)15)7(9)6-18-19-10-16-4-5-17-10;/h1-3,6H,4-5H2,(H2,16,17,19);1H
InChIKeyNJLNMGSDRRRJBX-UHFFFAOYSA-N
XLogP2.66
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of N-[[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (CID 146217329) is N-[[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for N-[[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for N-[[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is Cl.FC(F)(F)c1cccc(Cl)c1C=NNC1=NCCN1.
What is the InChIKey of N-[[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The InChIKey is NJLNMGSDRRRJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4.ClH/c12-9-3-1-2-8(11(13,14)15)7(9)6-18-19-10-16-4-5-17-10;/h1-3,6H,4-5H2,(H2,16,17,19);1H.
What are the key properties of N-[[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
N-[[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride has a molecular weight of 327.14 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 146217329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).