1-(2,3-dihydroindol-1-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one

C23H26N4O4S — CID 43007391

IUPAC1-(2,3-dihydroindol-1-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one
SMILESCn1c(CCC(=O)N2CCc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C23H26N4O4S/c1-25-21-7-6-18(32(29,30)26-12-14-31-15-13-26)16-19(21)24-22(25)8-9-23(28)27-11-10-17-4-2-3-5-20(17)27/h2-7,16H,8-15H2,1H3
InChIKeyRQHUEYYKIPNXMJ-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.12
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one

1-(2,3-dihydroindol-1-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one (PubChem CID 43007391) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one
PubChem CID43007391
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one
SMILESCn1c(CCC(=O)N2CCc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C23H26N4O4S/c1-25-21-7-6-18(32(29,30)26-12-14-31-15-13-26)16-19(21)24-22(25)8-9-23(28)27-11-10-17-4-2-3-5-20(17)27/h2-7,16H,8-15H2,1H3
InChIKeyRQHUEYYKIPNXMJ-UHFFFAOYSA-N
XLogP2.12
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2,3-dihydroindol-1-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one
CID 43007385
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide
CID 26913601
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]propanamide
CID 25367955
N-(2-methylbutan-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 42989633
1-(azepan-1-yl)-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propan-1-one
CID 27658996
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 43008074
N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26909373
N-(3,5-dimethoxyphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24688078
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(3-methylsulfanylphenyl)propanamide
CID 26086824
N-(2-methylcyclohexyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 43008041
N-[3-(dimethylsulfamoyl)phenyl]-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24980417
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26881337

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one (CID 43007391) is 1-(2,3-dihydroindol-1-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one is Cn1c(CCC(=O)N2CCc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one?
The InChIKey is RQHUEYYKIPNXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-25-21-7-6-18(32(29,30)26-12-14-31-15-13-26)16-19(21)24-22(25)8-9-23(28)27-11-10-17-4-2-3-5-20(17)27/h2-7,16H,8-15H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one?
1-(2,3-dihydroindol-1-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one has a molecular weight of 454.55 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one is sourced from PubChem (CID 43007391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).