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

C23H23N3O4 — CID 66561352

IUPAC[1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cn(C)c(-c3cn(C)c4ccccc34)n2)cc(OC)c1OC
InChIInChI=1S/C23H23N3O4/c1-25-12-16(15-8-6-7-9-18(15)25)23-24-17(13-26(23)2)21(27)14-10-19(28-3)22(30-5)20(11-14)29-4/h6-13H,1-5H3
InChIKeyFQBJGJVWLIVNRM-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.84
Rot. Bonds6

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

[1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 66561352) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is [1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID66561352
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name[1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cn(C)c(-c3cn(C)c4ccccc34)n2)cc(OC)c1OC
InChIInChI=1S/C23H23N3O4/c1-25-12-16(15-8-6-7-9-18(15)25)23-24-17(13-26(23)2)21(27)14-10-19(28-3)22(30-5)20(11-14)29-4/h6-13H,1-5H3
InChIKeyFQBJGJVWLIVNRM-UHFFFAOYSA-N
XLogP3.84
TPSA67.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 66561352) is [1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cn(C)c(-c3cn(C)c4ccccc34)n2)cc(OC)c1OC.
What is the InChIKey of [1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is FQBJGJVWLIVNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-25-12-16(15-8-6-7-9-18(15)25)23-24-17(13-26(23)2)21(27)14-10-19(28-3)22(30-5)20(11-14)29-4/h6-13H,1-5H3.
What are the key properties of [1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
[1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 405.45 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 66561352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).