4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylaniline

C11H12FN3 — CID 59708985

IUPAC4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylaniline
SMILESCN(Cc1ncc[nH]1)c1ccc(F)cc1
InChIInChI=1S/C11H12FN3/c1-15(8-11-13-6-7-14-11)10-4-2-9(12)3-5-10/h2-7H,8H2,1H3,(H,13,14)
InChIKeyQCTICTFIXYYBOI-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.19
Rot. Bonds3

About 4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylaniline

4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylaniline (PubChem CID 59708985) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylaniline.

Molecular Properties

Compound Name4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylaniline
PubChem CID59708985
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylaniline
SMILESCN(Cc1ncc[nH]1)c1ccc(F)cc1
InChIInChI=1S/C11H12FN3/c1-15(8-11-13-6-7-14-11)10-4-2-9(12)3-5-10/h2-7H,8H2,1H3,(H,13,14)
InChIKeyQCTICTFIXYYBOI-UHFFFAOYSA-N
XLogP2.19
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylaniline?
The IUPAC name of 4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylaniline (CID 59708985) is 4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylaniline.
What is the SMILES notation for 4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylaniline?
The canonical SMILES for 4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylaniline is CN(Cc1ncc[nH]1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylaniline?
The InChIKey is QCTICTFIXYYBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-15(8-11-13-6-7-14-11)10-4-2-9(12)3-5-10/h2-7H,8H2,1H3,(H,13,14).
What are the key properties of 4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylaniline?
4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylaniline has a molecular weight of 205.24 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylaniline is sourced from PubChem (CID 59708985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).