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

C21H21N3O3 — CID 10948473

IUPAC1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole
SMILESCOc1cc(-n2cncc2-c2ccc3c(ccn3C)c2)cc(OC)c1OC
InChIInChI=1S/C21H21N3O3/c1-23-8-7-15-9-14(5-6-17(15)23)18-12-22-13-24(18)16-10-19(25-2)21(27-4)20(11-16)26-3/h5-13H,1-4H3
InChIKeyIATHJPSSIWGXEY-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.06
Rot. Bonds5

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

1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole (PubChem CID 10948473) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole.

Molecular Properties

Compound Name1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole
PubChem CID10948473
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole
SMILESCOc1cc(-n2cncc2-c2ccc3c(ccn3C)c2)cc(OC)c1OC
InChIInChI=1S/C21H21N3O3/c1-23-8-7-15-9-14(5-6-17(15)23)18-12-22-13-24(18)16-10-19(25-2)21(27-4)20(11-16)26-3/h5-13H,1-4H3
InChIKeyIATHJPSSIWGXEY-UHFFFAOYSA-N
XLogP4.06
TPSA50.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole?
The IUPAC name of 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole (CID 10948473) is 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole.
What is the SMILES notation for 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole?
The canonical SMILES for 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole is COc1cc(-n2cncc2-c2ccc3c(ccn3C)c2)cc(OC)c1OC.
What is the InChIKey of 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole?
The InChIKey is IATHJPSSIWGXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-23-8-7-15-9-14(5-6-17(15)23)18-12-22-13-24(18)16-10-19(25-2)21(27-4)20(11-16)26-3/h5-13H,1-4H3.
What are the key properties of 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole?
1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole has a molecular weight of 363.42 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole is sourced from PubChem (CID 10948473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).