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

C34H34N4O2 — CID 24785432

IUPAC[1-(3-ethoxyphenyl)-2-(4-ethylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone
SMILESCCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(CC)cc2)c1
InChIInChI=1S/C34H34N4O2/c1-3-25-12-14-27(15-13-25)33-35-32(24-38(33)30-10-7-11-31(23-30)40-4-2)34(39)37-20-18-36(19-21-37)29-17-16-26-8-5-6-9-28(26)22-29/h5-17,22-24H,3-4,18-21H2,1-2H3
InChIKeyQUPZUONIBUTKDR-UHFFFAOYSA-N
MW530.67 g/mol
LogP6.62
Rot. Bonds7

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

[1-(3-ethoxyphenyl)-2-(4-ethylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone (PubChem CID 24785432) has the molecular formula C34H34N4O2 and a molecular weight of 530.67 g/mol. Its IUPAC name is [1-(3-ethoxyphenyl)-2-(4-ethylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-ethoxyphenyl)-2-(4-ethylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone
PubChem CID24785432
Molecular FormulaC34H34N4O2
Molecular Weight530.67 g/mol
Exact Mass530.27
IUPAC Name[1-(3-ethoxyphenyl)-2-(4-ethylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone
SMILESCCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(CC)cc2)c1
InChIInChI=1S/C34H34N4O2/c1-3-25-12-14-27(15-13-25)33-35-32(24-38(33)30-10-7-11-31(23-30)40-4-2)34(39)37-20-18-36(19-21-37)29-17-16-26-8-5-6-9-28(26)22-29/h5-17,22-24H,3-4,18-21H2,1-2H3
InChIKeyQUPZUONIBUTKDR-UHFFFAOYSA-N
XLogP6.62
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-((1-(3-Ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl)carbonyl)piperazin-1-yl)naphthalene-1-carboxylic acid
CID 16755781
(2-(2,4-difluorophenyl)-1-(3-ethoxyphenyl)-1H-imidazol-4-yl)(4-(naphthalen-2-yl)piperazin-1-yl)methanone
CID 16755782
3-((R)-3-(acetamidomethyl)-4-(1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H-imidazole-4-carbonyl)piperazin-1-yl)-1-naphthoic acid
CID 24769543
2-((S)-1-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)-4-(quinolin-3-yl)piperazine-6-carboxamido)acetic acid
CID 24769546
3-((S)-4-(1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H-imidazole-4-carbonyl)-3-(isopropylcarbamoyl)piperazin-1-yl)-1-naphthoic acid
CID 24769604
3-(((S)-1-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)-4-(quinolin-3-yl)piperazin-2-yl)methoxy)-3-oxopropanoic acid
CID 24769605
(1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H-imidazol-4-yl)(4-(naphthalen-2-yl)piperazin-1-yl)methanone
CID 24785703
(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-p-tolyl-1H-imidazol-4-yl)(4-(naphthalen-2-yl)piperazin-1-yl)methanone
CID 24785705
3-(4-(1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H-imidazole-4-carbonyl)piperazin-1-yl)-1-naphthoic acid
CID 24861060
3-(4-(1-(3-ethoxyphenyl)-2-(4-fluorophenyl)-1H-imidazole-4-carbonyl)piperazin-1-yl)-1-naphthoic acid
CID 24861113
3-[4-[[2-(2,4-Difluorophenyl)-1-(3-ethoxyphenyl)-4-imidazolyl]-oxomethyl]-1-piperazinyl]-1-naphthalenecarboxylic acid
CID 24861114
3-(4-(1-(3-methoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)piperazin-1-yl)-2-naphthoic acid
CID 24861174

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethoxyphenyl)-2-(4-ethylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(3-ethoxyphenyl)-2-(4-ethylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone (CID 24785432) is [1-(3-ethoxyphenyl)-2-(4-ethylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(3-ethoxyphenyl)-2-(4-ethylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(3-ethoxyphenyl)-2-(4-ethylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone is CCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(CC)cc2)c1.
What is the InChIKey of [1-(3-ethoxyphenyl)-2-(4-ethylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
The InChIKey is QUPZUONIBUTKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O2/c1-3-25-12-14-27(15-13-25)33-35-32(24-38(33)30-10-7-11-31(23-30)40-4-2)34(39)37-20-18-36(19-21-37)29-17-16-26-8-5-6-9-28(26)22-29/h5-17,22-24H,3-4,18-21H2,1-2H3.
What are the key properties of [1-(3-ethoxyphenyl)-2-(4-ethylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
[1-(3-ethoxyphenyl)-2-(4-ethylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone has a molecular weight of 530.67 g/mol, XLogP of 6.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethoxyphenyl)-2-(4-ethylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 24785432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).