2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethanamine

C11H11F2N3 — CID 114716863

IUPAC2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethanamine
SMILESNCCc1cncn1-c1cc(F)cc(F)c1
InChIInChI=1S/C11H11F2N3/c12-8-3-9(13)5-11(4-8)16-7-15-6-10(16)1-2-14/h3-7H,1-2,14H2
InChIKeyHNIDYXXRULHVME-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.65
Rot. Bonds3

About 2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethanamine

2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethanamine (PubChem CID 114716863) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethanamine
PubChem CID114716863
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethanamine
SMILESNCCc1cncn1-c1cc(F)cc(F)c1
InChIInChI=1S/C11H11F2N3/c12-8-3-9(13)5-11(4-8)16-7-15-6-10(16)1-2-14/h3-7H,1-2,14H2
InChIKeyHNIDYXXRULHVME-UHFFFAOYSA-N
XLogP1.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114720765
2-[3-(3,4-dichlorophenyl)imidazol-4-yl]ethanamine
CID 114716286
2-[3-(5-methyl-3-pyridinyl)imidazol-4-yl]ethanamine
CID 107587222
4-[5-(2-aminoethyl)imidazol-1-yl]phenol
CID 84671540
2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]ethanamine
CID 114721649
tert-butyl N-[2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethyl]carbamate
CID 104952037
[3-(4-fluorophenyl)imidazol-4-yl]methanamine
CID 82504796
[3-[(3,5-difluorophenyl)methyl]imidazol-4-yl]methanamine
CID 121199545
2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine
CID 114719746
1-[3-(3,5-difluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969456
2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine
CID 114717018
4-[5-(2-aminoethyl)imidazol-1-yl]-3-chlorobenzonitrile
CID 114003670

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethanamine (CID 114716863) is 2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethanamine is NCCc1cncn1-c1cc(F)cc(F)c1.
What is the InChIKey of 2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethanamine?
The InChIKey is HNIDYXXRULHVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c12-8-3-9(13)5-11(4-8)16-7-15-6-10(16)1-2-14/h3-7H,1-2,14H2.
What are the key properties of 2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethanamine?
2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethanamine has a molecular weight of 223.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114716863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).