N-(5-fluoro-2-methylphenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine

C13H14FN3 — CID 21433784

IUPACN-(5-fluoro-2-methylphenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC#CCN(C1=NCCN1)c1cc(F)ccc1C
InChIInChI=1S/C13H14FN3/c1-3-8-17(13-15-6-7-16-13)12-9-11(14)5-4-10(12)2/h1,4-5,9H,6-8H2,2H3,(H,15,16)
InChIKeyICULXYZYOKWKTC-UHFFFAOYSA-N
MW231.27 g/mol
LogP1.53
Rot. Bonds2

About N-(5-fluoro-2-methylphenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine

N-(5-fluoro-2-methylphenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 21433784) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID21433784
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC NameN-(5-fluoro-2-methylphenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC#CCN(C1=NCCN1)c1cc(F)ccc1C
InChIInChI=1S/C13H14FN3/c1-3-8-17(13-15-6-7-16-13)12-9-11(14)5-4-10(12)2/h1,4-5,9H,6-8H2,2H3,(H,15,16)
InChIKeyICULXYZYOKWKTC-UHFFFAOYSA-N
XLogP1.53
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine (CID 21433784) is N-(5-fluoro-2-methylphenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine is C#CCN(C1=NCCN1)c1cc(F)ccc1C.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is ICULXYZYOKWKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-3-8-17(13-15-6-7-16-13)12-9-11(14)5-4-10(12)2/h1,4-5,9H,6-8H2,2H3,(H,15,16).
What are the key properties of N-(5-fluoro-2-methylphenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine?
N-(5-fluoro-2-methylphenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 231.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 21433784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).