5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine

C11H14FN3O — CID 59470568

IUPAC5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(c2ccc(OCCF)cc2)N1
InChIInChI=1S/C11H14FN3O/c12-5-6-16-9-3-1-8(2-4-9)10-7-14-11(13)15-10/h1-4,10H,5-7H2,(H3,13,14,15)
InChIKeyMGBGXZXWNALXOG-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.99
Rot. Bonds4

About 5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine

5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 59470568) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID59470568
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(c2ccc(OCCF)cc2)N1
InChIInChI=1S/C11H14FN3O/c12-5-6-16-9-3-1-8(2-4-9)10-7-14-11(13)15-10/h1-4,10H,5-7H2,(H3,13,14,15)
InChIKeyMGBGXZXWNALXOG-UHFFFAOYSA-N
XLogP0.99
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-4,5-dihydro-1H-imidazole
CID 237746
N-((4-Methoxyphenyl)methyl)-N',N''-dimethylguanidine
CID 42765
2-(4-phenoxyphenyl)-4,5-dihydro-1H-imidazole
CID 17774026
2-Oxazoline, 2-(p-methoxybenzylamino)-
CID 3064028
2-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 44269074
1-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propyl]piperidine
CID 46880385
(E)-2-[[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512153
(Z)-2-[[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369076
2-(4-hexoxyphenyl)-4,5-dihydro-1H-imidazole
CID 85937392
2-(p-Dodecyloxy-alpha-methylbenzylimino)hexahydroazepine hydrochloride
CID 13012135
Hexahydro-2-[alpha-methyl-p-(3-phenylpropoxy)benzylimino]-azepine hydrochloride
CID 13012151
1-cyano-3-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-[(4-methoxyphenyl)methyl]guanidine
CID 172855072

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 59470568) is 5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine is NC1=NCC(c2ccc(OCCF)cc2)N1.
What is the InChIKey of 5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is MGBGXZXWNALXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-5-6-16-9-3-1-8(2-4-9)10-7-14-11(13)15-10/h1-4,10H,5-7H2,(H3,13,14,15).
What are the key properties of 5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 223.25 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 59470568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).