[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-[4-(4-methylnaphthalen-2-yl)piperazin-1-yl]methanone

C34H34N4O2 — CID 70852431

IUPAC[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-[4-(4-methylnaphthalen-2-yl)piperazin-1-yl]methanone
SMILESCCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1
InChIInChI=1S/C34H34N4O2/c1-4-40-30-10-7-9-28(22-30)38-23-32(35-33(38)26-14-12-24(2)13-15-26)34(39)37-18-16-36(17-19-37)29-20-25(3)31-11-6-5-8-27(31)21-29/h5-15,20-23H,4,16-19H2,1-3H3
InChIKeyDLUQQDIJCKZGOL-UHFFFAOYSA-N
MW530.67 g/mol
LogP6.67
Rot. Bonds6

About [1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-[4-(4-methylnaphthalen-2-yl)piperazin-1-yl]methanone

[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-[4-(4-methylnaphthalen-2-yl)piperazin-1-yl]methanone (PubChem CID 70852431) has the molecular formula C34H34N4O2 and a molecular weight of 530.67 g/mol. Its IUPAC name is [1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-[4-(4-methylnaphthalen-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-[4-(4-methylnaphthalen-2-yl)piperazin-1-yl]methanone
PubChem CID70852431
Molecular FormulaC34H34N4O2
Molecular Weight530.67 g/mol
Exact Mass530.27
IUPAC Name[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-[4-(4-methylnaphthalen-2-yl)piperazin-1-yl]methanone
SMILESCCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1
InChIInChI=1S/C34H34N4O2/c1-4-40-30-10-7-9-28(22-30)38-23-32(35-33(38)26-14-12-24(2)13-15-26)34(39)37-18-16-36(17-19-37)29-20-25(3)31-11-6-5-8-27(31)21-29/h5-15,20-23H,4,16-19H2,1-3H3
InChIKeyDLUQQDIJCKZGOL-UHFFFAOYSA-N
XLogP6.67
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 ≤ 56.67
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-(4-methylphenyl)imidazol-4-yl]-[4-(4-methylnaphthalen-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-[4-(4-methylnaphthalen-2-yl)piperazin-1-yl]methanone (CID 70852431) is [1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-[4-(4-methylnaphthalen-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-[4-(4-methylnaphthalen-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-[4-(4-methylnaphthalen-2-yl)piperazin-1-yl]methanone is CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1.
What is the InChIKey of [1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-[4-(4-methylnaphthalen-2-yl)piperazin-1-yl]methanone?
The InChIKey is DLUQQDIJCKZGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O2/c1-4-40-30-10-7-9-28(22-30)38-23-32(35-33(38)26-14-12-24(2)13-15-26)34(39)37-18-16-36(17-19-37)29-20-25(3)31-11-6-5-8-27(31)21-29/h5-15,20-23H,4,16-19H2,1-3H3.
What are the key properties of [1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-[4-(4-methylnaphthalen-2-yl)piperazin-1-yl]methanone?
[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-[4-(4-methylnaphthalen-2-yl)piperazin-1-yl]methanone has a molecular weight of 530.67 g/mol, XLogP of 6.67, 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-(4-methylphenyl)imidazol-4-yl]-[4-(4-methylnaphthalen-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 70852431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).