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

C21H19N3O4 — CID 71546821

IUPAC(2-imidazol-1-yl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(-n3ccnc3)[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C21H19N3O4/c1-26-16-10-13(11-17(27-2)20(16)28-3)19(25)18-14-6-4-5-7-15(14)23-21(18)24-9-8-22-12-24/h4-12,23H,1-3H3
InChIKeyBGLXHFRSYGZHOZ-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.61
Rot. Bonds6

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

(2-imidazol-1-yl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 71546821) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is (2-imidazol-1-yl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-imidazol-1-yl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID71546821
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name(2-imidazol-1-yl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(-n3ccnc3)[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C21H19N3O4/c1-26-16-10-13(11-17(27-2)20(16)28-3)19(25)18-14-6-4-5-7-15(14)23-21(18)24-9-8-22-12-24/h4-12,23H,1-3H3
InChIKeyBGLXHFRSYGZHOZ-UHFFFAOYSA-N
XLogP3.61
TPSA78.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-imidazol-1-yl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-imidazol-1-yl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 71546821) is (2-imidazol-1-yl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-imidazol-1-yl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-imidazol-1-yl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2c(-n3ccnc3)[nH]c3ccccc23)cc(OC)c1OC.
What is the InChIKey of (2-imidazol-1-yl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is BGLXHFRSYGZHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-26-16-10-13(11-17(27-2)20(16)28-3)19(25)18-14-6-4-5-7-15(14)23-21(18)24-9-8-22-12-24/h4-12,23H,1-3H3.
What are the key properties of (2-imidazol-1-yl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-imidazol-1-yl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 377.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-imidazol-1-yl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 71546821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).