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

C34H34N4O2 — CID 24785430

IUPAC[2-(4-methylphenyl)-1-(3-propan-2-yloxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(-c2nc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)cn2-c2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C34H34N4O2/c1-24(2)40-31-10-6-9-30(22-31)38-23-32(35-33(38)27-13-11-25(3)12-14-27)34(39)37-19-17-36(18-20-37)29-16-15-26-7-4-5-8-28(26)21-29/h4-16,21-24H,17-20H2,1-3H3
InChIKeyBXYVSADCGZSZPK-UHFFFAOYSA-N
MW530.67 g/mol
LogP6.75
Rot. Bonds6

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

[2-(4-methylphenyl)-1-(3-propan-2-yloxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone (PubChem CID 24785430) has the molecular formula C34H34N4O2 and a molecular weight of 530.67 g/mol. Its IUPAC name is [2-(4-methylphenyl)-1-(3-propan-2-yloxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-methylphenyl)-1-(3-propan-2-yloxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone
PubChem CID24785430
Molecular FormulaC34H34N4O2
Molecular Weight530.67 g/mol
Exact Mass530.27
IUPAC Name[2-(4-methylphenyl)-1-(3-propan-2-yloxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(-c2nc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)cn2-c2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C34H34N4O2/c1-24(2)40-31-10-6-9-30(22-31)38-23-32(35-33(38)27-13-11-25(3)12-14-27)34(39)37-19-17-36(18-20-37)29-16-15-26-7-4-5-8-28(26)21-29/h4-16,21-24H,17-20H2,1-3H3
InChIKeyBXYVSADCGZSZPK-UHFFFAOYSA-N
XLogP6.75
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-1-(3-propan-2-yloxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(4-methylphenyl)-1-(3-propan-2-yloxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone (CID 24785430) is [2-(4-methylphenyl)-1-(3-propan-2-yloxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(4-methylphenyl)-1-(3-propan-2-yloxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(4-methylphenyl)-1-(3-propan-2-yloxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone is Cc1ccc(-c2nc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)cn2-c2cccc(OC(C)C)c2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-1-(3-propan-2-yloxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
The InChIKey is BXYVSADCGZSZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O2/c1-24(2)40-31-10-6-9-30(22-31)38-23-32(35-33(38)27-13-11-25(3)12-14-27)34(39)37-19-17-36(18-20-37)29-16-15-26-7-4-5-8-28(26)21-29/h4-16,21-24H,17-20H2,1-3H3.
What are the key properties of [2-(4-methylphenyl)-1-(3-propan-2-yloxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
[2-(4-methylphenyl)-1-(3-propan-2-yloxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone has a molecular weight of 530.67 g/mol, XLogP of 6.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-1-(3-propan-2-yloxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 24785430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).