5-cyclopropyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine

C12H14FN3 — CID 79520573

IUPAC5-cyclopropyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(C2CC2)N1c1cccc(F)c1
InChIInChI=1S/C12H14FN3/c13-9-2-1-3-10(6-9)16-11(8-4-5-8)7-15-12(16)14/h1-3,6,8,11H,4-5,7H2,(H2,14,15)
InChIKeyXHQUYEKIHGDAAG-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.74
Rot. Bonds2

About 5-cyclopropyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine

5-cyclopropyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79520573) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 5-cyclopropyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79520573
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name5-cyclopropyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(C2CC2)N1c1cccc(F)c1
InChIInChI=1S/C12H14FN3/c13-9-2-1-3-10(6-9)16-11(8-4-5-8)7-15-12(16)14/h1-3,6,8,11H,4-5,7H2,(H2,14,15)
InChIKeyXHQUYEKIHGDAAG-UHFFFAOYSA-N
XLogP1.74
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 2731293
1-(4-Fluorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 433474
1-(3-Fluorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 44264183
1-(4-Fluoro-phenyl)-1,6-dihydro-[1,3,5]triazine-2,4-diamine
CID 44325367
N-ethyl-N-phenylimidodicarbonimidic diamide
CID 2943065
1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine
CID 24856216
(5S)-1-(2-cyclopentylethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine
CID 24856253
(5S)-1-ethyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine
CID 24856261
(5S)-1-(cyclopentylmethyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine
CID 24856262
(5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine
CID 24856291
(5S)-1-(2-cyclopentylethyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine
CID 24856294
(5S)-1-(3-methylbutyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine
CID 24856295

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-cyclopropyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine (CID 79520573) is 5-cyclopropyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-cyclopropyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(C2CC2)N1c1cccc(F)c1.
What is the InChIKey of 5-cyclopropyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is XHQUYEKIHGDAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c13-9-2-1-3-10(6-9)16-11(8-4-5-8)7-15-12(16)14/h1-3,6,8,11H,4-5,7H2,(H2,14,15).
What are the key properties of 5-cyclopropyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine?
5-cyclopropyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 219.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79520573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).