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

C32H30N4O2 — CID 24784940

IUPAC[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1
InChIInChI=1S/C32H30N4O2/c1-23-10-12-25(13-11-23)31-33-30(22-36(31)28-8-5-9-29(21-28)38-2)32(37)35-18-16-34(17-19-35)27-15-14-24-6-3-4-7-26(24)20-27/h3-15,20-22H,16-19H2,1-2H3
InChIKeyFKENHYZIIRWWCW-UHFFFAOYSA-N
MW502.62 g/mol
LogP5.97
Rot. Bonds5

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

[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone (PubChem CID 24784940) has the molecular formula C32H30N4O2 and a molecular weight of 502.62 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone
PubChem CID24784940
Molecular FormulaC32H30N4O2
Molecular Weight502.62 g/mol
Exact Mass502.24
IUPAC Name[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1
InChIInChI=1S/C32H30N4O2/c1-23-10-12-25(13-11-23)31-33-30(22-36(31)28-8-5-9-29(21-28)38-2)32(37)35-18-16-34(17-19-35)27-15-14-24-6-3-4-7-26(24)20-27/h3-15,20-22H,16-19H2,1-2H3
InChIKeyFKENHYZIIRWWCW-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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Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone (CID 24784940) is [1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone is COc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1.
What is the InChIKey of [1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
The InChIKey is FKENHYZIIRWWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O2/c1-23-10-12-25(13-11-23)31-33-30(22-36(31)28-8-5-9-29(21-28)38-2)32(37)35-18-16-34(17-19-35)27-15-14-24-6-3-4-7-26(24)20-27/h3-15,20-22H,16-19H2,1-2H3.
What are the key properties of [1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
[1-(3-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-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 24784940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).