3-indol-1-yl-N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide

C23H26N4OS — CID 124862718

IUPAC3-indol-1-yl-N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
SMILESCSCC[C@@H](NC(=O)CCn1ccc2ccccc21)c1nc2ccccc2n1C
InChIInChI=1S/C23H26N4OS/c1-26-21-10-6-4-8-18(21)25-23(26)19(13-16-29-2)24-22(28)12-15-27-14-11-17-7-3-5-9-20(17)27/h3-11,14,19H,12-13,15-16H2,1-2H3,(H,24,28)/t19-/m1/s1
InChIKeyOFXDHGZLUFXKHV-LJQANCHMSA-N
MW406.56 g/mol
LogP4.53
Rot. Bonds8

About 3-indol-1-yl-N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide

3-indol-1-yl-N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide (PubChem CID 124862718) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is 3-indol-1-yl-N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide.

Molecular Properties

Compound Name3-indol-1-yl-N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
PubChem CID124862718
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC Name3-indol-1-yl-N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
SMILESCSCC[C@@H](NC(=O)CCn1ccc2ccccc21)c1nc2ccccc2n1C
InChIInChI=1S/C23H26N4OS/c1-26-21-10-6-4-8-18(21)25-23(26)19(13-16-29-2)24-22(28)12-15-27-14-11-17-7-3-5-9-20(17)27/h3-11,14,19H,12-13,15-16H2,1-2H3,(H,24,28)/t19-/m1/s1
InChIKeyOFXDHGZLUFXKHV-LJQANCHMSA-N
XLogP4.53
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-indol-1-yl-N-[(1R)-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

3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
CID 110210186
2-(5-methoxyindol-1-yl)-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide
CID 91638880
3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 91639142
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
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-indol-1-ylacetamide
CID 124627084
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
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide
CID 127253061
3-(3-acetylindol-1-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 171145150
1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]urea
CID 121239940
N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 91639325

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide?
The IUPAC name of 3-indol-1-yl-N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide (CID 124862718) is 3-indol-1-yl-N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide.
What is the SMILES notation for 3-indol-1-yl-N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide?
The canonical SMILES for 3-indol-1-yl-N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide is CSCC[C@@H](NC(=O)CCn1ccc2ccccc21)c1nc2ccccc2n1C.
What is the InChIKey of 3-indol-1-yl-N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide?
The InChIKey is OFXDHGZLUFXKHV-LJQANCHMSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-26-21-10-6-4-8-18(21)25-23(26)19(13-16-29-2)24-22(28)12-15-27-14-11-17-7-3-5-9-20(17)27/h3-11,14,19H,12-13,15-16H2,1-2H3,(H,24,28)/t19-/m1/s1.
What are the key properties of 3-indol-1-yl-N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide?
3-indol-1-yl-N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide has a molecular weight of 406.56 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide is sourced from PubChem (CID 124862718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).