5-(4-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine

C13H18FN3O — CID 79504631

IUPAC5-(4-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
SMILESCOCCN1C(N)=NCC1(C)c1ccc(F)cc1
InChIInChI=1S/C13H18FN3O/c1-13(10-3-5-11(14)6-4-10)9-16-12(15)17(13)7-8-18-2/h3-6H,7-9H2,1-2H3,(H2,15,16)
InChIKeySSVLTRPVJCGNJQ-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.32
Rot. Bonds4

About 5-(4-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine

5-(4-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine (PubChem CID 79504631) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
PubChem CID79504631
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name5-(4-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
SMILESCOCCN1C(N)=NCC1(C)c1ccc(F)cc1
InChIInChI=1S/C13H18FN3O/c1-13(10-3-5-11(14)6-4-10)9-16-12(15)17(13)7-8-18-2/h3-6H,7-9H2,1-2H3,(H2,15,16)
InChIKeySSVLTRPVJCGNJQ-UHFFFAOYSA-N
XLogP1.32
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4R)-2-amino-3-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol
CID 135386459
Benzylamine, alpha,alpha-dimethyl-N-(2-oxazolinyl)-
CID 57855
1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine
CID 96503341
N'-[(2R)-2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboximidamide
CID 129398571
ethyl N-[1-ethyl-5-(2-fluorophenyl)-4,5-dihydroimidazol-2-yl]carbamate
CID 20352905
5-(4-Fluorophenyl)-1-hexyl-4,5-dihydroimidazol-2-amine
CID 20352917
ethyl N-[1-tert-butyl-5-(2-fluorophenyl)-4,5-dihydroimidazol-2-yl]carbamate
CID 20352949
1-Ethyl-5-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 20353126
[2-Amino-3-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol
CID 135386461
2-amino-5-(3,5-difluorophenyl)-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-4H-imidazol-4-ol
CID 139514868
6-(3-fluorophenyl)-N-(2-methoxyethyl)-1,2,3,6-tetrahydropyrazin-5-amine
CID 50767870
2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N,2-dimethylpropane-1,2-diamine
CID 55085750

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine (CID 79504631) is 5-(4-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine is COCCN1C(N)=NCC1(C)c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The InChIKey is SSVLTRPVJCGNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-13(10-3-5-11(14)6-4-10)9-16-12(15)17(13)7-8-18-2/h3-6H,7-9H2,1-2H3,(H2,15,16).
What are the key properties of 5-(4-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
5-(4-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine has a molecular weight of 251.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79504631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).