N-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine

C11H13F2N3 — CID 115601400

IUPACN-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1cc(F)cc(CCNC2=NCCN2)c1
InChIInChI=1S/C11H13F2N3/c12-9-5-8(6-10(13)7-9)1-2-14-11-15-3-4-16-11/h5-7H,1-4H2,(H2,14,15,16)
InChIKeyCXCLLZBEZOCDJK-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.06
Rot. Bonds3

About N-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine

N-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 115601400) has the molecular formula C11H13F2N3 and a molecular weight of 225.24 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID115601400
Molecular FormulaC11H13F2N3
Molecular Weight225.24 g/mol
Exact Mass225.11
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1cc(F)cc(CCNC2=NCCN2)c1
InChIInChI=1S/C11H13F2N3/c12-9-5-8(6-10(13)7-9)1-2-14-11-15-3-4-16-11/h5-7H,1-4H2,(H2,14,15,16)
InChIKeyCXCLLZBEZOCDJK-UHFFFAOYSA-N
XLogP1.06
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine (CID 115601400) is N-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine is Fc1cc(F)cc(CCNC2=NCCN2)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is CXCLLZBEZOCDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3/c12-9-5-8(6-10(13)7-9)1-2-14-11-15-3-4-16-11/h5-7H,1-4H2,(H2,14,15,16).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 225.24 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 115601400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).