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

C22H22FN3O3 — CID 11014741

IUPAC7-fluoro-1-methyl-5-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole
SMILESCOc1cc(-c2ncn(C)c2-c2cc(F)c3c(ccn3C)c2)cc(OC)c1OC
InChIInChI=1S/C22H22FN3O3/c1-25-7-6-13-8-15(9-16(23)20(13)25)21-19(24-12-26(21)2)14-10-17(27-3)22(29-5)18(11-14)28-4/h6-12H,1-5H3
InChIKeyDEDJQWZGAJSEOD-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.41
Rot. Bonds5

About 7-fluoro-1-methyl-5-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole

7-fluoro-1-methyl-5-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole (PubChem CID 11014741) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 7-fluoro-1-methyl-5-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole.

Molecular Properties

Compound Name7-fluoro-1-methyl-5-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole
PubChem CID11014741
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name7-fluoro-1-methyl-5-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole
SMILESCOc1cc(-c2ncn(C)c2-c2cc(F)c3c(ccn3C)c2)cc(OC)c1OC
InChIInChI=1S/C22H22FN3O3/c1-25-7-6-13-8-15(9-16(23)20(13)25)21-19(24-12-26(21)2)14-10-17(27-3)22(29-5)18(11-14)28-4/h6-12H,1-5H3
InChIKeyDEDJQWZGAJSEOD-UHFFFAOYSA-N
XLogP4.41
TPSA50.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-5-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole?
The IUPAC name of 7-fluoro-1-methyl-5-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole (CID 11014741) is 7-fluoro-1-methyl-5-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole.
What is the SMILES notation for 7-fluoro-1-methyl-5-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole?
The canonical SMILES for 7-fluoro-1-methyl-5-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole is COc1cc(-c2ncn(C)c2-c2cc(F)c3c(ccn3C)c2)cc(OC)c1OC.
What is the InChIKey of 7-fluoro-1-methyl-5-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole?
The InChIKey is DEDJQWZGAJSEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-25-7-6-13-8-15(9-16(23)20(13)25)21-19(24-12-26(21)2)14-10-17(27-3)22(29-5)18(11-14)28-4/h6-12H,1-5H3.
What are the key properties of 7-fluoro-1-methyl-5-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole?
7-fluoro-1-methyl-5-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole has a molecular weight of 395.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-5-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole is sourced from PubChem (CID 11014741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).