2-[2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone

C22H23N3O4S — CID 655610

IUPAC2-[2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1cccc(C(=O)CSc2nc3ccccc3n2CC(=O)N2CCOCC2)c1
InChIInChI=1S/C22H23N3O4S/c1-28-17-6-4-5-16(13-17)20(26)15-30-22-23-18-7-2-3-8-19(18)25(22)14-21(27)24-9-11-29-12-10-24/h2-8,13H,9-12,14-15H2,1H3
InChIKeyKZECSTGGOLYZLL-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.88
Rot. Bonds7

About 2-[2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone

2-[2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 655610) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-[2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone
PubChem CID655610
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name2-[2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1cccc(C(=O)CSc2nc3ccccc3n2CC(=O)N2CCOCC2)c1
InChIInChI=1S/C22H23N3O4S/c1-28-17-6-4-5-16(13-17)20(26)15-30-22-23-18-7-2-3-8-19(18)25(22)14-21(27)24-9-11-29-12-10-24/h2-8,13H,9-12,14-15H2,1H3
InChIKeyKZECSTGGOLYZLL-UHFFFAOYSA-N
XLogP2.88
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone (CID 655610) is 2-[2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone is COc1cccc(C(=O)CSc2nc3ccccc3n2CC(=O)N2CCOCC2)c1.
What is the InChIKey of 2-[2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is KZECSTGGOLYZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-28-17-6-4-5-16(13-17)20(26)15-30-22-23-18-7-2-3-8-19(18)25(22)14-21(27)24-9-11-29-12-10-24/h2-8,13H,9-12,14-15H2,1H3.
What are the key properties of 2-[2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone?
2-[2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 425.51 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 655610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).