N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide

C17H26N4OS — CID 119653244

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCSCc1nc2ccccc2n1CC(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C17H26N4OS/c1-17(2,11-18)12-20(3)16(22)9-21-14-8-6-5-7-13(14)19-15(21)10-23-4/h5-8H,9-12,18H2,1-4H3
InChIKeyCPBDVMXVDPGZOD-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.34
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide (PubChem CID 119653244) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
PubChem CID119653244
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCSCc1nc2ccccc2n1CC(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C17H26N4OS/c1-17(2,11-18)12-20(3)16(22)9-21-14-8-6-5-7-13(14)19-15(21)10-23-4/h5-8H,9-12,18H2,1-4H3
InChIKeyCPBDVMXVDPGZOD-UHFFFAOYSA-N
XLogP2.34
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 119656189
3-[methyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]propanoic acid
CID 119232506
N-[(2-chlorophenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 134015453
N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 36676558
N-methoxy-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 134015440
N-(1-aminopropan-2-yl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 119582009
N-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 52526747
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 51254864
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 112800383
N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride
CID 119441759
N-benzyl-N-(2-methoxyethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 134015449
N-(3-aminobutyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 119495678

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide (CID 119653244) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide is CSCc1nc2ccccc2n1CC(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The InChIKey is CPBDVMXVDPGZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-17(2,11-18)12-20(3)16(22)9-21-14-8-6-5-7-13(14)19-15(21)10-23-4/h5-8H,9-12,18H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide has a molecular weight of 334.49 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 119653244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).