1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-2,3-dihydroindole

C21H23N3O3 — CID 10948528

IUPAC1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-2,3-dihydroindole
SMILESCOc1cc(-n2cncc2-c2ccc3c(c2)CCN3C)cc(OC)c1OC
InChIInChI=1S/C21H23N3O3/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/h5-6,9-13H,7-8H2,1-4H3
InChIKeyVAJLPOCMFXRWCJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.56
Rot. Bonds5

About 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-2,3-dihydroindole

1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-2,3-dihydroindole (PubChem CID 10948528) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-2,3-dihydroindole
PubChem CID10948528
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-2,3-dihydroindole
SMILESCOc1cc(-n2cncc2-c2ccc3c(c2)CCN3C)cc(OC)c1OC
InChIInChI=1S/C21H23N3O3/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/h5-6,9-13H,7-8H2,1-4H3
InChIKeyVAJLPOCMFXRWCJ-UHFFFAOYSA-N
XLogP3.56
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.56
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]-2,3-dihydroindole?
The IUPAC name of 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-2,3-dihydroindole (CID 10948528) is 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-2,3-dihydroindole.
What is the SMILES notation for 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-2,3-dihydroindole?
The canonical SMILES for 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-2,3-dihydroindole is COc1cc(-n2cncc2-c2ccc3c(c2)CCN3C)cc(OC)c1OC.
What is the InChIKey of 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-2,3-dihydroindole?
The InChIKey is VAJLPOCMFXRWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/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/h5-6,9-13H,7-8H2,1-4H3.
What are the key properties of 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-2,3-dihydroindole?
1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-2,3-dihydroindole has a molecular weight of 365.43 g/mol, XLogP of 3.56, 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]-2,3-dihydroindole is sourced from PubChem (CID 10948528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).