2-[4-(2,4-difluorophenyl)-1H-imidazol-5-yl]ethanamine

C11H11F2N3 — CID 82287061

IUPAC2-[4-(2,4-difluorophenyl)-1H-imidazol-5-yl]ethanamine
SMILESNCCc1[nH]cnc1-c1ccc(F)cc1F
InChIInChI=1S/C11H11F2N3/c12-7-1-2-8(9(13)5-7)11-10(3-4-14)15-6-16-11/h1-2,5-6H,3-4,14H2,(H,15,16)
InChIKeyLCNVORSRWUAVKL-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.86
Rot. Bonds3

About 2-[4-(2,4-difluorophenyl)-1H-imidazol-5-yl]ethanamine

2-[4-(2,4-difluorophenyl)-1H-imidazol-5-yl]ethanamine (PubChem CID 82287061) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenyl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenyl)-1H-imidazol-5-yl]ethanamine
PubChem CID82287061
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name2-[4-(2,4-difluorophenyl)-1H-imidazol-5-yl]ethanamine
SMILESNCCc1[nH]cnc1-c1ccc(F)cc1F
InChIInChI=1S/C11H11F2N3/c12-7-1-2-8(9(13)5-7)11-10(3-4-14)15-6-16-11/h1-2,5-6H,3-4,14H2,(H,15,16)
InChIKeyLCNVORSRWUAVKL-UHFFFAOYSA-N
XLogP1.86
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 82285156
2-[4-(2,4-dimethoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 39101589
4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692598
6-(2,4-difluorophenyl)-5-propyl-1H-pyrimidine-4-thione
CID 106517018
2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine
CID 95456243
2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine
CID 39101600
[4-(4-fluorophenyl)-1H-imidazol-5-yl]methanol
CID 10535740
2-(3-chloro-6-fluoro-1H-indol-2-yl)ethanamine
CID 84679356
2-[6-(2,4-difluorophenyl)pyridazin-3-yl]ethanamine
CID 82291050
2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 95457147
2-(2,4-difluorophenyl)-3-fluoropyridine
CID 102309458
4-(2,4-difluorophenyl)-3-fluoroaniline
CID 57415152

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenyl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(2,4-difluorophenyl)-1H-imidazol-5-yl]ethanamine (CID 82287061) is 2-[4-(2,4-difluorophenyl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(2,4-difluorophenyl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(2,4-difluorophenyl)-1H-imidazol-5-yl]ethanamine is NCCc1[nH]cnc1-c1ccc(F)cc1F.
What is the InChIKey of 2-[4-(2,4-difluorophenyl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is LCNVORSRWUAVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c12-7-1-2-8(9(13)5-7)11-10(3-4-14)15-6-16-11/h1-2,5-6H,3-4,14H2,(H,15,16).
What are the key properties of 2-[4-(2,4-difluorophenyl)-1H-imidazol-5-yl]ethanamine?
2-[4-(2,4-difluorophenyl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 223.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenyl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 82287061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).