[1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone

C33H31FN4O2 — CID 24785703

IUPAC[1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone
SMILESCCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(C)cc2F)c1
InChIInChI=1S/C33H31FN4O2/c1-3-40-28-10-6-9-27(21-28)38-22-31(35-32(38)29-14-11-23(2)19-30(29)34)33(39)37-17-15-36(16-18-37)26-13-12-24-7-4-5-8-25(24)20-26/h4-14,19-22H,3,15-18H2,1-2H3
InChIKeyJGAHJZGMAXISNV-UHFFFAOYSA-N
MW534.64 g/mol
LogP6.50
Rot. Bonds6

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

[1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone (PubChem CID 24785703) has the molecular formula C33H31FN4O2 and a molecular weight of 534.64 g/mol. Its IUPAC name is [1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone
PubChem CID24785703
Molecular FormulaC33H31FN4O2
Molecular Weight534.64 g/mol
Exact Mass534.24
IUPAC Name[1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone
SMILESCCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(C)cc2F)c1
InChIInChI=1S/C33H31FN4O2/c1-3-40-28-10-6-9-27(21-28)38-22-31(35-32(38)29-14-11-23(2)19-30(29)34)33(39)37-17-15-36(16-18-37)26-13-12-24-7-4-5-8-25(24)20-26/h4-14,19-22H,3,15-18H2,1-2H3
InChIKeyJGAHJZGMAXISNV-UHFFFAOYSA-N
XLogP6.50
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.64
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone (CID 24785703) is [1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone is CCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(C)cc2F)c1.
What is the InChIKey of [1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
The InChIKey is JGAHJZGMAXISNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FN4O2/c1-3-40-28-10-6-9-27(21-28)38-22-31(35-32(38)29-14-11-23(2)19-30(29)34)33(39)37-17-15-36(16-18-37)26-13-12-24-7-4-5-8-25(24)20-26/h4-14,19-22H,3,15-18H2,1-2H3.
What are the key properties of [1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
[1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone has a molecular weight of 534.64 g/mol, XLogP of 6.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 24785703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).