2,3-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline

C11H11F2N3 — CID 62741383

IUPAC2,3-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
SMILESCc1[nH]cnc1CNc1cccc(F)c1F
InChIInChI=1S/C11H11F2N3/c1-7-10(16-6-15-7)5-14-9-4-2-3-8(12)11(9)13/h2-4,6,14H,5H2,1H3,(H,15,16)
InChIKeyXLZKGVSFVOGBFR-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.61
Rot. Bonds3

About 2,3-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline

2,3-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline (PubChem CID 62741383) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2,3-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2,3-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
PubChem CID62741383
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name2,3-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
SMILESCc1[nH]cnc1CNc1cccc(F)c1F
InChIInChI=1S/C11H11F2N3/c1-7-10(16-6-15-7)5-14-9-4-2-3-8(12)11(9)13/h2-4,6,14H,5H2,1H3,(H,15,16)
InChIKeyXLZKGVSFVOGBFR-UHFFFAOYSA-N
XLogP2.61
TPSA40.71 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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline?
The IUPAC name of 2,3-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline (CID 62741383) is 2,3-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline.
What is the SMILES notation for 2,3-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline?
The canonical SMILES for 2,3-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline is Cc1[nH]cnc1CNc1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline?
The InChIKey is XLZKGVSFVOGBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-7-10(16-6-15-7)5-14-9-4-2-3-8(12)11(9)13/h2-4,6,14H,5H2,1H3,(H,15,16).
What are the key properties of 2,3-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline?
2,3-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline has a molecular weight of 223.23 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline is sourced from PubChem (CID 62741383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).