2,2-dimethyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]propanamide

C15H19N3O2S — CID 2443532

IUPAC2,2-dimethyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]propanamide
SMILESCc1ccc2nc(SCC(=O)NC(=O)C(C)(C)C)[nH]c2c1
InChIInChI=1S/C15H19N3O2S/c1-9-5-6-10-11(7-9)17-14(16-10)21-8-12(19)18-13(20)15(2,3)4/h5-7H,8H2,1-4H3,(H,16,17)(H,18,19,20)
InChIKeyWVHZYSZUECXITH-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.65
Rot. Bonds3

About 2,2-dimethyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]propanamide

2,2-dimethyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]propanamide (PubChem CID 2443532) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]propanamide
PubChem CID2443532
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2,2-dimethyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]propanamide
SMILESCc1ccc2nc(SCC(=O)NC(=O)C(C)(C)C)[nH]c2c1
InChIInChI=1S/C15H19N3O2S/c1-9-5-6-10-11(7-9)17-14(16-10)21-8-12(19)18-13(20)15(2,3)4/h5-7H,8H2,1-4H3,(H,16,17)(H,18,19,20)
InChIKeyWVHZYSZUECXITH-UHFFFAOYSA-N
XLogP2.65
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
N-[(2S)-butan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2522885
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-prop-2-enylacetamide
CID 2522055
N-[(2R)-butan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2522881
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
CID 2172545
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[7-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide
CID 17325035
methyl (2S,3R)-3-methyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]pentanoate
CID 9198193
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2537243
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 17324815
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide
CID 17325080
N-tert-butyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2096673
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylpropyl)acetamide
CID 16524013

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]propanamide (CID 2443532) is 2,2-dimethyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]propanamide is Cc1ccc2nc(SCC(=O)NC(=O)C(C)(C)C)[nH]c2c1.
What is the InChIKey of 2,2-dimethyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]propanamide?
The InChIKey is WVHZYSZUECXITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-5-6-10-11(7-9)17-14(16-10)21-8-12(19)18-13(20)15(2,3)4/h5-7H,8H2,1-4H3,(H,16,17)(H,18,19,20).
What are the key properties of 2,2-dimethyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]propanamide?
2,2-dimethyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]propanamide has a molecular weight of 305.40 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]propanamide is sourced from PubChem (CID 2443532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).