[1-(4-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone

C32H30N4O2 — CID 24785177

IUPAC[1-(4-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C32H30N4O2/c1-23-7-9-25(10-8-23)31-33-30(22-36(31)27-13-15-29(38-2)16-14-27)32(37)35-19-17-34(18-20-35)28-12-11-24-5-3-4-6-26(24)21-28/h3-16,21-22H,17-20H2,1-2H3
InChIKeyZSHKANBXBCCHOW-UHFFFAOYSA-N
MW502.62 g/mol
LogP5.97
Rot. Bonds5

About [1-(4-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone

[1-(4-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone (PubChem CID 24785177) has the molecular formula C32H30N4O2 and a molecular weight of 502.62 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone
PubChem CID24785177
Molecular FormulaC32H30N4O2
Molecular Weight502.62 g/mol
Exact Mass502.24
IUPAC Name[1-(4-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C32H30N4O2/c1-23-7-9-25(10-8-23)31-33-30(22-36(31)27-13-15-29(38-2)16-14-27)32(37)35-19-17-34(18-20-35)28-12-11-24-5-3-4-6-26(24)21-28/h3-16,21-22H,17-20H2,1-2H3
InChIKeyZSHKANBXBCCHOW-UHFFFAOYSA-N
XLogP5.97
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 55.97
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
(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-methoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)piperazin-1-yl)-2-naphthoic acid
CID 24861174
3-(4-(1-(3-methoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)piperazin-1-yl)-1-naphthoic acid
CID 44578457
(1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H-imidazol-4-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
CID 44578728
(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-p-tolyl-1H-imidazol-4-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
CID 44578729
3ZF8Zlu9V7
CID 44578765
(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazol-4-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
CID 44578767
(1-(3-methoxyphenyl)-2-p-tolyl-1H-imidazol-4-yl)(4-(naphthalen-2-yl)piperazin-1-yl)methanone
CID 24784940

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone (CID 24785177) is [1-(4-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone is COc1ccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
The InChIKey is ZSHKANBXBCCHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O2/c1-23-7-9-25(10-8-23)31-33-30(22-36(31)27-13-15-29(38-2)16-14-27)32(37)35-19-17-34(18-20-35)28-12-11-24-5-3-4-6-26(24)21-28/h3-16,21-22H,17-20H2,1-2H3.
What are the key properties of [1-(4-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
[1-(4-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone has a molecular weight of 502.62 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 24785177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).