2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine

C17H24FN3 — CID 107444278

IUPAC2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
SMILESCc1cc(Cn2cncc2C(CN)C(C)C)cc(C)c1F
InChIInChI=1S/C17H24FN3/c1-11(2)15(7-19)16-8-20-10-21(16)9-14-5-12(3)17(18)13(4)6-14/h5-6,8,10-11,15H,7,9,19H2,1-4H3
InChIKeyRLVPCBBCBQUCIS-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.39
Rot. Bonds5

About 2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine

2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 107444278) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID107444278
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
SMILESCc1cc(Cn2cncc2C(CN)C(C)C)cc(C)c1F
InChIInChI=1S/C17H24FN3/c1-11(2)15(7-19)16-8-20-10-21(16)9-14-5-12(3)17(18)13(4)6-14/h5-6,8,10-11,15H,7,9,19H2,1-4H3
InChIKeyRLVPCBBCBQUCIS-UHFFFAOYSA-N
XLogP3.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]butan-1-amine
CID 107444218
2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 106040953
2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443923
3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine
CID 114169292
2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443913
2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444090
3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine
CID 107444354
3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine
CID 107444361
3-methyl-2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]butan-1-amine
CID 106422452
3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine
CID 106327217
2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine
CID 107443976
2-[3-(5-chloro-2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107443874

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine (CID 107444278) is 2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine is Cc1cc(Cn2cncc2C(CN)C(C)C)cc(C)c1F.
What is the InChIKey of 2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is RLVPCBBCBQUCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-11(2)15(7-19)16-8-20-10-21(16)9-14-5-12(3)17(18)13(4)6-14/h5-6,8,10-11,15H,7,9,19H2,1-4H3.
What are the key properties of 2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine?
2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 107444278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).