1-[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine

C14H17F2N3 — CID 103587988

IUPAC1-[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine
SMILESCc1cc(F)c(-n2cncc2C(N)C(C)C)cc1F
InChIInChI=1S/C14H17F2N3/c1-8(2)14(17)13-6-18-7-19(13)12-5-10(15)9(3)4-11(12)16/h4-8,14H,17H2,1-3H3
InChIKeyXYTOUFPSDMIXQY-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.11
Rot. Bonds3

About 1-[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine

1-[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine (PubChem CID 103587988) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine
PubChem CID103587988
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine
SMILESCc1cc(F)c(-n2cncc2C(N)C(C)C)cc1F
InChIInChI=1S/C14H17F2N3/c1-8(2)14(17)13-6-18-7-19(13)12-5-10(15)9(3)4-11(12)16/h4-8,14H,17H2,1-3H3
InChIKeyXYTOUFPSDMIXQY-UHFFFAOYSA-N
XLogP3.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969435
1-[3-(3,5-difluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969456
1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 107641151
(1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine
CID 104942142
1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969634
5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole
CID 103587997
1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-2-methylpropan-1-amine
CID 107465376
(1S)-1-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanamine
CID 104942363
4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-3-chlorobenzonitrile
CID 107810754
(1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine
CID 104942294
[3-(2-fluoro-5-methylphenyl)imidazol-4-yl]-phenylmethanamine
CID 114704029
2-[3-(5-chloro-2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107443874

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine (CID 103587988) is 1-[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine is Cc1cc(F)c(-n2cncc2C(N)C(C)C)cc1F.
What is the InChIKey of 1-[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine?
The InChIKey is XYTOUFPSDMIXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-8(2)14(17)13-6-18-7-19(13)12-5-10(15)9(3)4-11(12)16/h4-8,14H,17H2,1-3H3.
What are the key properties of 1-[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine?
1-[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine has a molecular weight of 265.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 103587988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).