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

C21H19N3O4 — CID 67120426

IUPAC[2-(1H-indol-6-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cnc(-c3ccc4cc[nH]c4c3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C21H19N3O4/c1-26-17-9-14(10-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)13-5-4-12-6-7-22-15(12)8-13/h4-11,22H,1-3H3,(H,23,24)
InChIKeyZWYWKMGQZNGTAQ-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.81
Rot. Bonds6

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

[2-(1H-indol-6-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 67120426) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is [2-(1H-indol-6-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(1H-indol-6-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID67120426
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name[2-(1H-indol-6-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cnc(-c3ccc4cc[nH]c4c3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C21H19N3O4/c1-26-17-9-14(10-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)13-5-4-12-6-7-22-15(12)8-13/h4-11,22H,1-3H3,(H,23,24)
InChIKeyZWYWKMGQZNGTAQ-UHFFFAOYSA-N
XLogP3.81
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-6-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(1H-indol-6-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 67120426) is [2-(1H-indol-6-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(1H-indol-6-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(1H-indol-6-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cnc(-c3ccc4cc[nH]c4c3)[nH]2)cc(OC)c1OC.
What is the InChIKey of [2-(1H-indol-6-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is ZWYWKMGQZNGTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-26-17-9-14(10-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)13-5-4-12-6-7-22-15(12)8-13/h4-11,22H,1-3H3,(H,23,24).
What are the key properties of [2-(1H-indol-6-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(1H-indol-6-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 377.40 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-6-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 67120426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).