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

C12H13F2N3 — CID 65230885

IUPACN-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
SMILESFc1ccc(F)c(CNCCc2cnc[nH]2)c1
InChIInChI=1S/C12H13F2N3/c13-10-1-2-12(14)9(5-10)6-15-4-3-11-7-16-8-17-11/h1-2,5,7-8,15H,3-4,6H2,(H,16,17)
InChIKeyPGRSBJQELVJJHD-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.02
Rot. Bonds5

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

N-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine (PubChem CID 65230885) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
PubChem CID65230885
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
SMILESFc1ccc(F)c(CNCCc2cnc[nH]2)c1
InChIInChI=1S/C12H13F2N3/c13-10-1-2-12(14)9(5-10)6-15-4-3-11-7-16-8-17-11/h1-2,5,7-8,15H,3-4,6H2,(H,16,17)
InChIKeyPGRSBJQELVJJHD-UHFFFAOYSA-N
XLogP2.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromo-2-fluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 65231014
N-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine
CID 54944073
N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine
CID 60913065
2-[(2,5-difluorophenyl)methylamino]ethanethiol
CID 115223933
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 64988515
N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride
CID 70625954
2-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 65230472
2-(1H-imidazol-5-yl)-N-(isoquinolin-4-ylmethyl)ethanamine
CID 104503928
2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62763703
N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 94074514
1-(2,4-difluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 10825620
2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 64988316

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine (CID 65230885) is N-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine is Fc1ccc(F)c(CNCCc2cnc[nH]2)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is PGRSBJQELVJJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c13-10-1-2-12(14)9(5-10)6-15-4-3-11-7-16-8-17-11/h1-2,5,7-8,15H,3-4,6H2,(H,16,17).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine?
N-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 237.25 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 65230885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).