5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine

C11H15FN3O+ — CID 90864119

IUPAC5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine
SMILESNC1=[NH+]CC(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)/p+1
InChIKeyMGBGXZXWNALXOG-UHFFFAOYSA-O
MW224.26 g/mol
LogP-0.93
Rot. Bonds4

About 5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine

5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine (PubChem CID 90864119) has the molecular formula C11H15FN3O+ and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine.

Molecular Properties

Compound Name5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine
PubChem CID90864119
Molecular FormulaC11H15FN3O+
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine
SMILESNC1=[NH+]CC(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)/p+1
InChIKeyMGBGXZXWNALXOG-UHFFFAOYSA-O
XLogP-0.93
TPSA61.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 44269074
(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
(2-Amino-1-(4-(propan-2-yloxy)phenyl)ethyl)dimethylamine
CID 16642866
(4S,5R)-4,5-bis(2-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-imidazole
CID 11001655
(4R,5S)-4,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-imidazole
CID 44341232
methyl N-[5-(4-phenylmethoxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 44371711

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine?
The IUPAC name of 5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine (CID 90864119) is 5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine.
What is the SMILES notation for 5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine?
The canonical SMILES for 5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine is NC1=[NH+]CC(c2ccc(OCCF)cc2)N1.
What is the InChIKey of 5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine?
The InChIKey is MGBGXZXWNALXOG-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of 5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine?
5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine has a molecular weight of 224.26 g/mol, XLogP of -0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine is sourced from PubChem (CID 90864119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).