4-chloro-3-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline

C11H11ClFN3 — CID 59728081

IUPAC4-chloro-3-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline
SMILESCN(Cc1cnc[nH]1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H11ClFN3/c1-16(6-8-5-14-7-15-8)9-2-3-10(12)11(13)4-9/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyRGVIVPFXHDGKGK-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.84
Rot. Bonds3

About 4-chloro-3-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline

4-chloro-3-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline (PubChem CID 59728081) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline
PubChem CID59728081
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name4-chloro-3-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline
SMILESCN(Cc1cnc[nH]1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H11ClFN3/c1-16(6-8-5-14-7-15-8)9-2-3-10(12)11(13)4-9/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyRGVIVPFXHDGKGK-UHFFFAOYSA-N
XLogP2.84
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline?
The IUPAC name of 4-chloro-3-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline (CID 59728081) is 4-chloro-3-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline.
What is the SMILES notation for 4-chloro-3-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline?
The canonical SMILES for 4-chloro-3-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline is CN(Cc1cnc[nH]1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline?
The InChIKey is RGVIVPFXHDGKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c1-16(6-8-5-14-7-15-8)9-2-3-10(12)11(13)4-9/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of 4-chloro-3-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline?
4-chloro-3-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline has a molecular weight of 239.68 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline is sourced from PubChem (CID 59728081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).