3-(difluoromethoxy)-N-(1H-imidazol-5-ylmethyl)-N-methylaniline

C12H13F2N3O — CID 24947895

IUPAC3-(difluoromethoxy)-N-(1H-imidazol-5-ylmethyl)-N-methylaniline
SMILESCN(Cc1cnc[nH]1)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H13F2N3O/c1-17(7-9-6-15-8-16-9)10-3-2-4-11(5-10)18-12(13)14/h2-6,8,12H,7H2,1H3,(H,15,16)
InChIKeyTZMWBBMDKMZRFN-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.65
Rot. Bonds5

About 3-(difluoromethoxy)-N-(1H-imidazol-5-ylmethyl)-N-methylaniline

3-(difluoromethoxy)-N-(1H-imidazol-5-ylmethyl)-N-methylaniline (PubChem CID 24947895) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(1H-imidazol-5-ylmethyl)-N-methylaniline.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(1H-imidazol-5-ylmethyl)-N-methylaniline
PubChem CID24947895
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name3-(difluoromethoxy)-N-(1H-imidazol-5-ylmethyl)-N-methylaniline
SMILESCN(Cc1cnc[nH]1)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H13F2N3O/c1-17(7-9-6-15-8-16-9)10-3-2-4-11(5-10)18-12(13)14/h2-6,8,12H,7H2,1H3,(H,15,16)
InChIKeyTZMWBBMDKMZRFN-UHFFFAOYSA-N
XLogP2.65
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(1H-imidazol-5-ylmethyl)-N-methylaniline?
The IUPAC name of 3-(difluoromethoxy)-N-(1H-imidazol-5-ylmethyl)-N-methylaniline (CID 24947895) is 3-(difluoromethoxy)-N-(1H-imidazol-5-ylmethyl)-N-methylaniline.
What is the SMILES notation for 3-(difluoromethoxy)-N-(1H-imidazol-5-ylmethyl)-N-methylaniline?
The canonical SMILES for 3-(difluoromethoxy)-N-(1H-imidazol-5-ylmethyl)-N-methylaniline is CN(Cc1cnc[nH]1)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(1H-imidazol-5-ylmethyl)-N-methylaniline?
The InChIKey is TZMWBBMDKMZRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-17(7-9-6-15-8-16-9)10-3-2-4-11(5-10)18-12(13)14/h2-6,8,12H,7H2,1H3,(H,15,16).
What are the key properties of 3-(difluoromethoxy)-N-(1H-imidazol-5-ylmethyl)-N-methylaniline?
3-(difluoromethoxy)-N-(1H-imidazol-5-ylmethyl)-N-methylaniline has a molecular weight of 253.25 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(1H-imidazol-5-ylmethyl)-N-methylaniline is sourced from PubChem (CID 24947895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).