N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-(trifluoromethoxy)aniline

C14H16F3N3O — CID 24947520

IUPACN-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-(trifluoromethoxy)aniline
SMILESCC(C)N(Cc1cnc[nH]1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H16F3N3O/c1-10(2)20(8-11-7-18-9-19-11)12-4-3-5-13(6-12)21-14(15,16)17/h3-7,9-10H,8H2,1-2H3,(H,18,19)
InChIKeyVSLVVWSAZPXTOR-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.72
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-(trifluoromethoxy)aniline

N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-(trifluoromethoxy)aniline (PubChem CID 24947520) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-(trifluoromethoxy)aniline
PubChem CID24947520
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC NameN-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-(trifluoromethoxy)aniline
SMILESCC(C)N(Cc1cnc[nH]1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H16F3N3O/c1-10(2)20(8-11-7-18-9-19-11)12-4-3-5-13(6-12)21-14(15,16)17/h3-7,9-10H,8H2,1-2H3,(H,18,19)
InChIKeyVSLVVWSAZPXTOR-UHFFFAOYSA-N
XLogP3.72
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-(trifluoromethoxy)aniline?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-(trifluoromethoxy)aniline (CID 24947520) is N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-(trifluoromethoxy)aniline.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-(trifluoromethoxy)aniline?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-(trifluoromethoxy)aniline is CC(C)N(Cc1cnc[nH]1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-(trifluoromethoxy)aniline?
The InChIKey is VSLVVWSAZPXTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-10(2)20(8-11-7-18-9-19-11)12-4-3-5-13(6-12)21-14(15,16)17/h3-7,9-10H,8H2,1-2H3,(H,18,19).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-(trifluoromethoxy)aniline?
N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-(trifluoromethoxy)aniline has a molecular weight of 299.30 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-(trifluoromethoxy)aniline is sourced from PubChem (CID 24947520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).