5-(dithiolan-3-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pentanamide

C20H29N3OS2 — CID 91636794

IUPAC5-(dithiolan-3-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pentanamide
SMILESCC(C)[C@H](NC(=O)CCCCC1CCSS1)c1nc2ccccc2n1C
InChIInChI=1S/C20H29N3OS2/c1-14(2)19(20-21-16-9-5-6-10-17(16)23(20)3)22-18(24)11-7-4-8-15-12-13-25-26-15/h5-6,9-10,14-15,19H,4,7-8,11-13H2,1-3H3,(H,22,24)/t15?,19-/m0/s1
InChIKeyAMFGVCMUYZFOQQ-FUBQLUNQSA-N
MW391.61 g/mol
LogP5.10
Rot. Bonds8

About 5-(dithiolan-3-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pentanamide

5-(dithiolan-3-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pentanamide (PubChem CID 91636794) has the molecular formula C20H29N3OS2 and a molecular weight of 391.61 g/mol. Its IUPAC name is 5-(dithiolan-3-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pentanamide.

Molecular Properties

Compound Name5-(dithiolan-3-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pentanamide
PubChem CID91636794
Molecular FormulaC20H29N3OS2
Molecular Weight391.61 g/mol
Exact Mass391.18
IUPAC Name5-(dithiolan-3-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pentanamide
SMILESCC(C)[C@H](NC(=O)CCCCC1CCSS1)c1nc2ccccc2n1C
InChIInChI=1S/C20H29N3OS2/c1-14(2)19(20-21-16-9-5-6-10-17(16)23(20)3)22-18(24)11-7-4-8-15-12-13-25-26-15/h5-6,9-10,14-15,19H,4,7-8,11-13H2,1-3H3,(H,22,24)/t15?,19-/m0/s1
InChIKeyAMFGVCMUYZFOQQ-FUBQLUNQSA-N
XLogP5.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.61
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze 5-(dithiolan-3-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pentanamide 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-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 91639142
2-(2-methoxyphenyl)-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
CID 91823296
N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 102564423
N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 86207080
1-methyl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 102564420
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
CID 86207401
7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide
CID 119863894
2-(4-methoxyindol-1-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
CID 91639450
2-methoxy-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 121240654
N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanamide
CID 91822380
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118

Frequently Asked Questions

What is the IUPAC name of 5-(dithiolan-3-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pentanamide?
The IUPAC name of 5-(dithiolan-3-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pentanamide (CID 91636794) is 5-(dithiolan-3-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pentanamide.
What is the SMILES notation for 5-(dithiolan-3-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pentanamide?
The canonical SMILES for 5-(dithiolan-3-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pentanamide is CC(C)[C@H](NC(=O)CCCCC1CCSS1)c1nc2ccccc2n1C.
What is the InChIKey of 5-(dithiolan-3-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pentanamide?
The InChIKey is AMFGVCMUYZFOQQ-FUBQLUNQSA-N. The full InChI is InChI=1S/C20H29N3OS2/c1-14(2)19(20-21-16-9-5-6-10-17(16)23(20)3)22-18(24)11-7-4-8-15-12-13-25-26-15/h5-6,9-10,14-15,19H,4,7-8,11-13H2,1-3H3,(H,22,24)/t15?,19-/m0/s1.
What are the key properties of 5-(dithiolan-3-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pentanamide?
5-(dithiolan-3-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pentanamide has a molecular weight of 391.61 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dithiolan-3-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pentanamide is sourced from PubChem (CID 91636794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).