4-(2,5-dihydro-1H-imidazol-4-yl)-3-(4-fluorophenyl)-N,N-dimethylaniline

C17H18FN3 — CID 57291693

IUPAC4-(2,5-dihydro-1H-imidazol-4-yl)-3-(4-fluorophenyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2=NCNC2)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C17H18FN3/c1-21(2)14-7-8-15(17-10-19-11-20-17)16(9-14)12-3-5-13(18)6-4-12/h3-9,19H,10-11H2,1-2H3
InChIKeyHWDDTPLQMLFKME-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.91
Rot. Bonds3

About 4-(2,5-dihydro-1H-imidazol-4-yl)-3-(4-fluorophenyl)-N,N-dimethylaniline

4-(2,5-dihydro-1H-imidazol-4-yl)-3-(4-fluorophenyl)-N,N-dimethylaniline (PubChem CID 57291693) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-(2,5-dihydro-1H-imidazol-4-yl)-3-(4-fluorophenyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2,5-dihydro-1H-imidazol-4-yl)-3-(4-fluorophenyl)-N,N-dimethylaniline
PubChem CID57291693
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name4-(2,5-dihydro-1H-imidazol-4-yl)-3-(4-fluorophenyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2=NCNC2)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C17H18FN3/c1-21(2)14-7-8-15(17-10-19-11-20-17)16(9-14)12-3-5-13(18)6-4-12/h3-9,19H,10-11H2,1-2H3
InChIKeyHWDDTPLQMLFKME-UHFFFAOYSA-N
XLogP2.91
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydro-1H-imidazol-4-yl)-3-(4-fluorophenyl)-N,N-dimethylaniline?
The IUPAC name of 4-(2,5-dihydro-1H-imidazol-4-yl)-3-(4-fluorophenyl)-N,N-dimethylaniline (CID 57291693) is 4-(2,5-dihydro-1H-imidazol-4-yl)-3-(4-fluorophenyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(2,5-dihydro-1H-imidazol-4-yl)-3-(4-fluorophenyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(2,5-dihydro-1H-imidazol-4-yl)-3-(4-fluorophenyl)-N,N-dimethylaniline is CN(C)c1ccc(C2=NCNC2)c(-c2ccc(F)cc2)c1.
What is the InChIKey of 4-(2,5-dihydro-1H-imidazol-4-yl)-3-(4-fluorophenyl)-N,N-dimethylaniline?
The InChIKey is HWDDTPLQMLFKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c1-21(2)14-7-8-15(17-10-19-11-20-17)16(9-14)12-3-5-13(18)6-4-12/h3-9,19H,10-11H2,1-2H3.
What are the key properties of 4-(2,5-dihydro-1H-imidazol-4-yl)-3-(4-fluorophenyl)-N,N-dimethylaniline?
4-(2,5-dihydro-1H-imidazol-4-yl)-3-(4-fluorophenyl)-N,N-dimethylaniline has a molecular weight of 283.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydro-1H-imidazol-4-yl)-3-(4-fluorophenyl)-N,N-dimethylaniline is sourced from PubChem (CID 57291693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).