[2-(6-phenylmethoxy-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone

C28H25N3O5 — CID 155545647

IUPAC[2-(6-phenylmethoxy-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cnc(-c3c[nH]c4cc(OCc5ccccc5)ccc34)[nH]2)cc(OC)c1OC
InChIInChI=1S/C28H25N3O5/c1-33-24-11-18(12-25(34-2)27(24)35-3)26(32)23-15-30-28(31-23)21-14-29-22-13-19(9-10-20(21)22)36-16-17-7-5-4-6-8-17/h4-15,29H,16H2,1-3H3,(H,30,31)
InChIKeyJMDFZCCPZWFBIE-UHFFFAOYSA-N
MW483.52 g/mol
LogP5.39
Rot. Bonds9

About [2-(6-phenylmethoxy-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-(6-phenylmethoxy-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 155545647) has the molecular formula C28H25N3O5 and a molecular weight of 483.52 g/mol. Its IUPAC name is [2-(6-phenylmethoxy-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(6-phenylmethoxy-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID155545647
Molecular FormulaC28H25N3O5
Molecular Weight483.52 g/mol
Exact Mass483.18
IUPAC Name[2-(6-phenylmethoxy-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cnc(-c3c[nH]c4cc(OCc5ccccc5)ccc34)[nH]2)cc(OC)c1OC
InChIInChI=1S/C28H25N3O5/c1-33-24-11-18(12-25(34-2)27(24)35-3)26(32)23-15-30-28(31-23)21-14-29-22-13-19(9-10-20(21)22)36-16-17-7-5-4-6-8-17/h4-15,29H,16H2,1-3H3,(H,30,31)
InChIKeyJMDFZCCPZWFBIE-UHFFFAOYSA-N
XLogP5.39
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.52
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(6-phenylmethoxy-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(6-phenylmethoxy-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 155545647) is [2-(6-phenylmethoxy-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(6-phenylmethoxy-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(6-phenylmethoxy-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cnc(-c3c[nH]c4cc(OCc5ccccc5)ccc34)[nH]2)cc(OC)c1OC.
What is the InChIKey of [2-(6-phenylmethoxy-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is JMDFZCCPZWFBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O5/c1-33-24-11-18(12-25(34-2)27(24)35-3)26(32)23-15-30-28(31-23)21-14-29-22-13-19(9-10-20(21)22)36-16-17-7-5-4-6-8-17/h4-15,29H,16H2,1-3H3,(H,30,31).
What are the key properties of [2-(6-phenylmethoxy-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(6-phenylmethoxy-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 483.52 g/mol, XLogP of 5.39, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-phenylmethoxy-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 155545647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).