2-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine

C14H18FN3 — CID 114872284

IUPAC2-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine
SMILESCCC(CN)c1nc(-c2cccc(F)c2)c(C)[nH]1
InChIInChI=1S/C14H18FN3/c1-3-10(8-16)14-17-9(2)13(18-14)11-5-4-6-12(15)7-11/h4-7,10H,3,8,16H2,1-2H3,(H,17,18)
InChIKeyDOTYQWNGQHDKLO-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.98
Rot. Bonds4

About 2-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine

2-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine (PubChem CID 114872284) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine
PubChem CID114872284
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name2-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine
SMILESCCC(CN)c1nc(-c2cccc(F)c2)c(C)[nH]1
InChIInChI=1S/C14H18FN3/c1-3-10(8-16)14-17-9(2)13(18-14)11-5-4-6-12(15)7-11/h4-7,10H,3,8,16H2,1-2H3,(H,17,18)
InChIKeyDOTYQWNGQHDKLO-UHFFFAOYSA-N
XLogP2.98
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 65233339
2-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
CID 65231043
2-(1-aminopropan-2-yl)-5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79440358
[4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 82106665
1-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 43649836
5-ethyl-2-(3-fluorophenyl)-6-methyl-1H-pyrimidine-4-thione
CID 94076936
2-amino-1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethanol
CID 116881716
3-fluoro-2-(3-fluorophenyl)-6-methylpyridine
CID 46312581
3-ethyl-1-(3-fluorophenyl)isoquinoline
CID 140508145
6-ethyl-2-(3-fluorophenyl)-1H-pyrimidine-4-thione
CID 94076931
2-[5-(3-bromophenyl)-1H-imidazol-2-yl]butan-1-amine
CID 65232744
2-N-[6-(3-fluorophenyl)pyridazin-3-yl]-2-N-methylpropane-1,2-diamine
CID 116973366

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine?
The IUPAC name of 2-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine (CID 114872284) is 2-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine.
What is the SMILES notation for 2-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine?
The canonical SMILES for 2-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine is CCC(CN)c1nc(-c2cccc(F)c2)c(C)[nH]1.
What is the InChIKey of 2-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine?
The InChIKey is DOTYQWNGQHDKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-10(8-16)14-17-9(2)13(18-14)11-5-4-6-12(15)7-11/h4-7,10H,3,8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine?
2-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine is sourced from PubChem (CID 114872284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).