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

C22H23N3O3 — CID 11047077

IUPAC1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole
SMILESCOc1cc(-c2ncn(C)c2-c2ccc3ccn(C)c3c2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O3/c1-24-9-8-14-6-7-15(10-17(14)24)21-20(23-13-25(21)2)16-11-18(26-3)22(28-5)19(12-16)27-4/h6-13H,1-5H3
InChIKeyFHCFQELIQBCWKH-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.27
Rot. Bonds5

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

1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole (PubChem CID 11047077) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole.

Molecular Properties

Compound Name1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole
PubChem CID11047077
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole
SMILESCOc1cc(-c2ncn(C)c2-c2ccc3ccn(C)c3c2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O3/c1-24-9-8-14-6-7-15(10-17(14)24)21-20(23-13-25(21)2)16-11-18(26-3)22(28-5)19(12-16)27-4/h6-13H,1-5H3
InChIKeyFHCFQELIQBCWKH-UHFFFAOYSA-N
XLogP4.27
TPSA50.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole?
The IUPAC name of 1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole (CID 11047077) is 1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole.
What is the SMILES notation for 1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole?
The canonical SMILES for 1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole is COc1cc(-c2ncn(C)c2-c2ccc3ccn(C)c3c2)cc(OC)c1OC.
What is the InChIKey of 1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole?
The InChIKey is FHCFQELIQBCWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-24-9-8-14-6-7-15(10-17(14)24)21-20(23-13-25(21)2)16-11-18(26-3)22(28-5)19(12-16)27-4/h6-13H,1-5H3.
What are the key properties of 1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole?
1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole has a molecular weight of 377.44 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole is sourced from PubChem (CID 11047077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).