3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide

C24H28N4O2S — CID 110210186

IUPAC3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
SMILESCOc1ccc2c(ccn2CCC(=O)NC(CCSC)c2nc3ccccc3n2C)c1
InChIInChI=1S/C24H28N4O2S/c1-27-22-7-5-4-6-19(22)26-24(27)20(12-15-31-3)25-23(29)11-14-28-13-10-17-16-18(30-2)8-9-21(17)28/h4-10,13,16,20H,11-12,14-15H2,1-3H3,(H,25,29)
InChIKeyMKZYXZSVUWGMKY-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.54
Rot. Bonds9

About 3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide

3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide (PubChem CID 110210186) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide.

Molecular Properties

Compound Name3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
PubChem CID110210186
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
SMILESCOc1ccc2c(ccn2CCC(=O)NC(CCSC)c2nc3ccccc3n2C)c1
InChIInChI=1S/C24H28N4O2S/c1-27-22-7-5-4-6-19(22)26-24(27)20(12-15-31-3)25-23(29)11-14-28-13-10-17-16-18(30-2)8-9-21(17)28/h4-10,13,16,20H,11-12,14-15H2,1-3H3,(H,25,29)
InChIKeyMKZYXZSVUWGMKY-UHFFFAOYSA-N
XLogP4.54
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide 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

2-(5-methoxyindol-1-yl)-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide
CID 91638880
3-indol-1-yl-N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
CID 124862718
N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 91638736
N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopropanecarboxamide
CID 124862001
3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 91639142
2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide
CID 154925497
3-indol-1-yl-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 18115503
N-[2-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 110205717
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
CID 121239761
N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 124864692
(2R,3S)-2-[3-(5-methoxyindol-1-yl)propanoylamino]-3-methylpentanoic acid
CID 124647642
5-methoxy-1-(2-methylsulfanylethyl)indole
CID 116619344

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide?
The IUPAC name of 3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide (CID 110210186) is 3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide.
What is the SMILES notation for 3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide?
The canonical SMILES for 3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide is COc1ccc2c(ccn2CCC(=O)NC(CCSC)c2nc3ccccc3n2C)c1.
What is the InChIKey of 3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide?
The InChIKey is MKZYXZSVUWGMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-27-22-7-5-4-6-19(22)26-24(27)20(12-15-31-3)25-23(29)11-14-28-13-10-17-16-18(30-2)8-9-21(17)28/h4-10,13,16,20H,11-12,14-15H2,1-3H3,(H,25,29).
What are the key properties of 3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide?
3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide has a molecular weight of 436.58 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide is sourced from PubChem (CID 110210186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).