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

C21H19N3O4 — CID 69039740

IUPAC[2-(1H-indol-5-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cnc(-c3ccc4[nH]ccc4c3)[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)13-4-5-15-12(8-13)6-7-22-15/h4-11,22H,1-3H3,(H,23,24)
InChIKeyCBDCJMIWSIDDKK-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.81
Rot. Bonds6

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

[2-(1H-indol-5-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 69039740) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is [2-(1H-indol-5-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(1H-indol-5-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID69039740
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name[2-(1H-indol-5-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cnc(-c3ccc4[nH]ccc4c3)[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)13-4-5-15-12(8-13)6-7-22-15/h4-11,22H,1-3H3,(H,23,24)
InChIKeyCBDCJMIWSIDDKK-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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Related Compounds

Sabizabulin
CID 53379371
N-(Propan-2-Yl)-2-(3,4,5-Trimethoxyphenyl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 44205381
5-[5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-indole
CID 46236221
(2-p-tolyl-1H-imidazol-5-yl)(3,4,5-trimethoxyphenyl)methanone
CID 49787837
[2-(1H-indol-4-yl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone
CID 69038102
[2-(1H-indol-3-yl)-1H-imidazol-4-yl](8-methoxy-1,4-benzodioxin-6-yl)methanone
CID 134814244
[2-(4-methyl-1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone
CID 138454919
(7-Methoxyimidazo[1,2-a]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 11522983
1H-indol-7-yl-(3,4,5-trimethoxyphenyl)methanone
CID 17756417
[2-(4-fluorophenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 49787762
[2-(4-Methoxyphenyl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone
CID 49787763
(2-(4-Chlorophenyl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl)methanone
CID 49787841

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-5-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(1H-indol-5-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 69039740) is [2-(1H-indol-5-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(1H-indol-5-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(1H-indol-5-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cnc(-c3ccc4[nH]ccc4c3)[nH]2)cc(OC)c1OC.
What is the InChIKey of [2-(1H-indol-5-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is CBDCJMIWSIDDKK-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)13-4-5-15-12(8-13)6-7-22-15/h4-11,22H,1-3H3,(H,23,24).
What are the key properties of [2-(1H-indol-5-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(1H-indol-5-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-5-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 69039740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).