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

C15H14FN3 — CID 175534747

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)-N-(4-fluorophenyl)aniline
SMILESFc1ccc(Nc2cccc(C3=NCCN3)c2)cc1
InChIInChI=1S/C15H14FN3/c16-12-4-6-13(7-5-12)19-14-3-1-2-11(10-14)15-17-8-9-18-15/h1-7,10,19H,8-9H2,(H,17,18)
InChIKeyLQJSGTLFYYDNTJ-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.92
Rot. Bonds3

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

3-(4,5-dihydro-1H-imidazol-2-yl)-N-(4-fluorophenyl)aniline (PubChem CID 175534747) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)-N-(4-fluorophenyl)aniline.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)-N-(4-fluorophenyl)aniline
PubChem CID175534747
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)-N-(4-fluorophenyl)aniline
SMILESFc1ccc(Nc2cccc(C3=NCCN3)c2)cc1
InChIInChI=1S/C15H14FN3/c16-12-4-6-13(7-5-12)19-14-3-1-2-11(10-14)15-17-8-9-18-15/h1-7,10,19H,8-9H2,(H,17,18)
InChIKeyLQJSGTLFYYDNTJ-UHFFFAOYSA-N
XLogP2.92
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-N-(4-fluorophenyl)aniline?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-N-(4-fluorophenyl)aniline (CID 175534747) is 3-(4,5-dihydro-1H-imidazol-2-yl)-N-(4-fluorophenyl)aniline.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)-N-(4-fluorophenyl)aniline?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)-N-(4-fluorophenyl)aniline is Fc1ccc(Nc2cccc(C3=NCCN3)c2)cc1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)-N-(4-fluorophenyl)aniline?
The InChIKey is LQJSGTLFYYDNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c16-12-4-6-13(7-5-12)19-14-3-1-2-11(10-14)15-17-8-9-18-15/h1-7,10,19H,8-9H2,(H,17,18).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)-N-(4-fluorophenyl)aniline?
3-(4,5-dihydro-1H-imidazol-2-yl)-N-(4-fluorophenyl)aniline has a molecular weight of 255.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)-N-(4-fluorophenyl)aniline is sourced from PubChem (CID 175534747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).