[2-(2,4-difluorophenyl)-1-(3-ethoxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone

C32H28F2N4O2 — CID 16755782

IUPAC[2-(2,4-difluorophenyl)-1-(3-ethoxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone
SMILESCCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(F)cc2F)c1
InChIInChI=1S/C32H28F2N4O2/c1-2-40-27-9-5-8-26(20-27)38-21-30(35-31(38)28-13-11-24(33)19-29(28)34)32(39)37-16-14-36(15-17-37)25-12-10-22-6-3-4-7-23(22)18-25/h3-13,18-21H,2,14-17H2,1H3
InChIKeyXZAQMOVYQZIQHA-UHFFFAOYSA-N
MW538.60 g/mol
LogP6.33
Rot. Bonds6

About [2-(2,4-difluorophenyl)-1-(3-ethoxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone

[2-(2,4-difluorophenyl)-1-(3-ethoxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone (PubChem CID 16755782) has the molecular formula C32H28F2N4O2 and a molecular weight of 538.60 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)-1-(3-ethoxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)-1-(3-ethoxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone
PubChem CID16755782
Molecular FormulaC32H28F2N4O2
Molecular Weight538.60 g/mol
Exact Mass538.22
IUPAC Name[2-(2,4-difluorophenyl)-1-(3-ethoxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone
SMILESCCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(F)cc2F)c1
InChIInChI=1S/C32H28F2N4O2/c1-2-40-27-9-5-8-26(20-27)38-21-30(35-31(38)28-13-11-24(33)19-29(28)34)32(39)37-16-14-36(15-17-37)25-12-10-22-6-3-4-7-23(22)18-25/h3-13,18-21H,2,14-17H2,1H3
InChIKeyXZAQMOVYQZIQHA-UHFFFAOYSA-N
XLogP6.33
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.60
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)-1-(3-ethoxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(2,4-difluorophenyl)-1-(3-ethoxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone (CID 16755782) is [2-(2,4-difluorophenyl)-1-(3-ethoxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(2,4-difluorophenyl)-1-(3-ethoxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(2,4-difluorophenyl)-1-(3-ethoxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone is CCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(F)cc2F)c1.
What is the InChIKey of [2-(2,4-difluorophenyl)-1-(3-ethoxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
The InChIKey is XZAQMOVYQZIQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F2N4O2/c1-2-40-27-9-5-8-26(20-27)38-21-30(35-31(38)28-13-11-24(33)19-29(28)34)32(39)37-16-14-36(15-17-37)25-12-10-22-6-3-4-7-23(22)18-25/h3-13,18-21H,2,14-17H2,1H3.
What are the key properties of [2-(2,4-difluorophenyl)-1-(3-ethoxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
[2-(2,4-difluorophenyl)-1-(3-ethoxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone has a molecular weight of 538.60 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)-1-(3-ethoxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 16755782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).