[2-(1H-indol-5-yl)imidazolidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone

C21H23N3O4 — CID 69037845

IUPAC[2-(1H-indol-5-yl)imidazolidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)C2CNC(c3ccc4[nH]ccc4c3)N2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O4/c1-26-17-9-14(10-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)13-4-5-15-12(8-13)6-7-22-15/h4-10,16,21-24H,11H2,1-3H3
InChIKeyCFSHYFOESHSYTA-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.64
Rot. Bonds6

About [2-(1H-indol-5-yl)imidazolidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-(1H-indol-5-yl)imidazolidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 69037845) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is [2-(1H-indol-5-yl)imidazolidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(1H-indol-5-yl)imidazolidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID69037845
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name[2-(1H-indol-5-yl)imidazolidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)C2CNC(c3ccc4[nH]ccc4c3)N2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O4/c1-26-17-9-14(10-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)13-4-5-15-12(8-13)6-7-22-15/h4-10,16,21-24H,11H2,1-3H3
InChIKeyCFSHYFOESHSYTA-UHFFFAOYSA-N
XLogP2.64
TPSA84.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-5-yl)imidazolidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(1H-indol-5-yl)imidazolidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 69037845) is [2-(1H-indol-5-yl)imidazolidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(1H-indol-5-yl)imidazolidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(1H-indol-5-yl)imidazolidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)C2CNC(c3ccc4[nH]ccc4c3)N2)cc(OC)c1OC.
What is the InChIKey of [2-(1H-indol-5-yl)imidazolidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is CFSHYFOESHSYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-26-17-9-14(10-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)13-4-5-15-12(8-13)6-7-22-15/h4-10,16,21-24H,11H2,1-3H3.
What are the key properties of [2-(1H-indol-5-yl)imidazolidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(1H-indol-5-yl)imidazolidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 381.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-5-yl)imidazolidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 69037845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).