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

C21H19N3O4 — CID 176847170

IUPAC[2-(4-deuterio-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILES[2H]c1cccc2[nH]cc(-c3ncc(C(=O)c4cc(OC)c(OC)c(OC)c4)[nH]3)c12
InChIInChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,24)/i6D
InChIKeyWQGVHOVEXMOLOK-RAMDWTOOSA-N
MW378.41 g/mol
LogP3.81
Rot. Bonds6

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

[2-(4-deuterio-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 176847170) has the molecular formula C21H19N3O4 and a molecular weight of 378.41 g/mol. Its IUPAC name is [2-(4-deuterio-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-deuterio-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID176847170
Molecular FormulaC21H19N3O4
Molecular Weight378.41 g/mol
Exact Mass378.14
IUPAC Name[2-(4-deuterio-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILES[2H]c1cccc2[nH]cc(-c3ncc(C(=O)c4cc(OC)c(OC)c(OC)c4)[nH]3)c12
InChIInChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,24)/i6D
InChIKeyWQGVHOVEXMOLOK-RAMDWTOOSA-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 ≤ 500378.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 53379371
(2-deuterio-3,4,5-trimethoxyphenyl)-[2-(1H-indol-3-yl)-1H-imidazol-5-yl]methanone
CID 176847172
[2-(2-deuterio-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 175964433
[2-(1-benzofuran-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 66561353
methane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 160633416
(2-pyrimidin-4-yl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 69038939
[2-(4-nitrophenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 69039473
2-(5-methyl-1H-indol-3-yl)-1H-imidazole-5-carboxylic acid
CID 82387535
N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide
CID 30455105
2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole
CID 136822308
[2-[[(4E,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]amino]-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 130311131
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 8013162

Frequently Asked Questions

What is the IUPAC name of [2-(4-deuterio-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(4-deuterio-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 176847170) is [2-(4-deuterio-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(4-deuterio-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(4-deuterio-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone is [2H]c1cccc2[nH]cc(-c3ncc(C(=O)c4cc(OC)c(OC)c(OC)c4)[nH]3)c12.
What is the InChIKey of [2-(4-deuterio-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is WQGVHOVEXMOLOK-RAMDWTOOSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,24)/i6D.
What are the key properties of [2-(4-deuterio-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(4-deuterio-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 378.41 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-(4-deuterio-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 176847170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).