N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine

C10H11ClFN3 — CID 44538689

IUPACN-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1cccc(CNC2=NCCN2)c1Cl
InChIInChI=1S/C10H11ClFN3/c11-9-7(2-1-3-8(9)12)6-15-10-13-4-5-14-10/h1-3H,4-6H2,(H2,13,14,15)
InChIKeyPJIDEBRTKIMRCU-UHFFFAOYSA-N
MW227.67 g/mol
LogP1.53
Rot. Bonds2

About N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine

N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 44538689) has the molecular formula C10H11ClFN3 and a molecular weight of 227.67 g/mol. Its IUPAC name is N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID44538689
Molecular FormulaC10H11ClFN3
Molecular Weight227.67 g/mol
Exact Mass227.06
IUPAC NameN-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1cccc(CNC2=NCCN2)c1Cl
InChIInChI=1S/C10H11ClFN3/c11-9-7(2-1-3-8(9)12)6-15-10-13-4-5-14-10/h1-3H,4-6H2,(H2,13,14,15)
InChIKeyPJIDEBRTKIMRCU-UHFFFAOYSA-N
XLogP1.53
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine (CID 44538689) is N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine is Fc1cccc(CNC2=NCCN2)c1Cl.
What is the InChIKey of N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is PJIDEBRTKIMRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3/c11-9-7(2-1-3-8(9)12)6-15-10-13-4-5-14-10/h1-3H,4-6H2,(H2,13,14,15).
What are the key properties of N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 227.67 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 44538689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).