1-methyl-6-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]indole

C21H21N3O3 — CID 10959424

IUPAC1-methyl-6-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]indole
SMILESCOc1cc(-c2nc[nH]c2-c2ccc3ccn(C)c3c2)cc(OC)c1OC
InChIInChI=1S/C21H21N3O3/c1-24-8-7-13-5-6-14(9-16(13)24)19-20(23-12-22-19)15-10-17(25-2)21(27-4)18(11-15)26-3/h5-12H,1-4H3,(H,22,23)
InChIKeyXTHOGZDRFNNIMU-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.26
Rot. Bonds5

About 1-methyl-6-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]indole

1-methyl-6-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]indole (PubChem CID 10959424) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-methyl-6-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]indole.

Molecular Properties

Compound Name1-methyl-6-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]indole
PubChem CID10959424
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name1-methyl-6-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]indole
SMILESCOc1cc(-c2nc[nH]c2-c2ccc3ccn(C)c3c2)cc(OC)c1OC
InChIInChI=1S/C21H21N3O3/c1-24-8-7-13-5-6-14(9-16(13)24)19-20(23-12-22-19)15-10-17(25-2)21(27-4)18(11-15)26-3/h5-12H,1-4H3,(H,22,23)
InChIKeyXTHOGZDRFNNIMU-UHFFFAOYSA-N
XLogP4.26
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]indole?
The IUPAC name of 1-methyl-6-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]indole (CID 10959424) is 1-methyl-6-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]indole.
What is the SMILES notation for 1-methyl-6-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]indole?
The canonical SMILES for 1-methyl-6-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]indole is COc1cc(-c2nc[nH]c2-c2ccc3ccn(C)c3c2)cc(OC)c1OC.
What is the InChIKey of 1-methyl-6-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]indole?
The InChIKey is XTHOGZDRFNNIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-24-8-7-13-5-6-14(9-16(13)24)19-20(23-12-22-19)15-10-17(25-2)21(27-4)18(11-15)26-3/h5-12H,1-4H3,(H,22,23).
What are the key properties of 1-methyl-6-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]indole?
1-methyl-6-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]indole has a molecular weight of 363.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]indole is sourced from PubChem (CID 10959424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).