1-[3-(1H-imidazol-5-ylmethoxy)-4-phenoxyphenyl]-3-(3-methylphenyl)-1,3,5-triazinane-2,4,6-trione

C26H21N5O5 — CID 153381313

IUPAC1-[3-(1H-imidazol-5-ylmethoxy)-4-phenoxyphenyl]-3-(3-methylphenyl)-1,3,5-triazinane-2,4,6-trione
SMILESCc1cccc(-n2c(=O)[nH]c(=O)n(-c3ccc(Oc4ccccc4)c(OCc4cnc[nH]4)c3)c2=O)c1
InChIInChI=1S/C26H21N5O5/c1-17-6-5-7-19(12-17)30-24(32)29-25(33)31(26(30)34)20-10-11-22(36-21-8-3-2-4-9-21)23(13-20)35-15-18-14-27-16-28-18/h2-14,16H,15H2,1H3,(H,27,28)(H,29,32,33)
InChIKeyNRFAHLSXMNUHPC-UHFFFAOYSA-N
MW483.48 g/mol
LogP3.08
Rot. Bonds7

About 1-[3-(1H-imidazol-5-ylmethoxy)-4-phenoxyphenyl]-3-(3-methylphenyl)-1,3,5-triazinane-2,4,6-trione

1-[3-(1H-imidazol-5-ylmethoxy)-4-phenoxyphenyl]-3-(3-methylphenyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 153381313) has the molecular formula C26H21N5O5 and a molecular weight of 483.48 g/mol. Its IUPAC name is 1-[3-(1H-imidazol-5-ylmethoxy)-4-phenoxyphenyl]-3-(3-methylphenyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[3-(1H-imidazol-5-ylmethoxy)-4-phenoxyphenyl]-3-(3-methylphenyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID153381313
Molecular FormulaC26H21N5O5
Molecular Weight483.48 g/mol
Exact Mass483.15
IUPAC Name1-[3-(1H-imidazol-5-ylmethoxy)-4-phenoxyphenyl]-3-(3-methylphenyl)-1,3,5-triazinane-2,4,6-trione
SMILESCc1cccc(-n2c(=O)[nH]c(=O)n(-c3ccc(Oc4ccccc4)c(OCc4cnc[nH]4)c3)c2=O)c1
InChIInChI=1S/C26H21N5O5/c1-17-6-5-7-19(12-17)30-24(32)29-25(33)31(26(30)34)20-10-11-22(36-21-8-3-2-4-9-21)23(13-20)35-15-18-14-27-16-28-18/h2-14,16H,15H2,1H3,(H,27,28)(H,29,32,33)
InChIKeyNRFAHLSXMNUHPC-UHFFFAOYSA-N
XLogP3.08
TPSA124.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.48
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-imidazol-5-ylmethoxy)-4-phenoxyphenyl]-3-(3-methylphenyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-[3-(1H-imidazol-5-ylmethoxy)-4-phenoxyphenyl]-3-(3-methylphenyl)-1,3,5-triazinane-2,4,6-trione (CID 153381313) is 1-[3-(1H-imidazol-5-ylmethoxy)-4-phenoxyphenyl]-3-(3-methylphenyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-[3-(1H-imidazol-5-ylmethoxy)-4-phenoxyphenyl]-3-(3-methylphenyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-[3-(1H-imidazol-5-ylmethoxy)-4-phenoxyphenyl]-3-(3-methylphenyl)-1,3,5-triazinane-2,4,6-trione is Cc1cccc(-n2c(=O)[nH]c(=O)n(-c3ccc(Oc4ccccc4)c(OCc4cnc[nH]4)c3)c2=O)c1.
What is the InChIKey of 1-[3-(1H-imidazol-5-ylmethoxy)-4-phenoxyphenyl]-3-(3-methylphenyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is NRFAHLSXMNUHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O5/c1-17-6-5-7-19(12-17)30-24(32)29-25(33)31(26(30)34)20-10-11-22(36-21-8-3-2-4-9-21)23(13-20)35-15-18-14-27-16-28-18/h2-14,16H,15H2,1H3,(H,27,28)(H,29,32,33).
What are the key properties of 1-[3-(1H-imidazol-5-ylmethoxy)-4-phenoxyphenyl]-3-(3-methylphenyl)-1,3,5-triazinane-2,4,6-trione?
1-[3-(1H-imidazol-5-ylmethoxy)-4-phenoxyphenyl]-3-(3-methylphenyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 483.48 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-imidazol-5-ylmethoxy)-4-phenoxyphenyl]-3-(3-methylphenyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 153381313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).