N,N-dimethyl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide

C13H17N3OS — CID 51209021

IUPACN,N-dimethyl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
SMILESCC(Sc1nc2ccccc2n1C)C(=O)N(C)C
InChIInChI=1S/C13H17N3OS/c1-9(12(17)15(2)3)18-13-14-10-7-5-6-8-11(10)16(13)4/h5-9H,1-4H3
InChIKeyVUVNIIBJTMHPIS-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.14
Rot. Bonds3

About N,N-dimethyl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide

N,N-dimethyl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide (PubChem CID 51209021) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
PubChem CID51209021
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN,N-dimethyl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
SMILESCC(Sc1nc2ccccc2n1C)C(=O)N(C)C
InChIInChI=1S/C13H17N3OS/c1-9(12(17)15(2)3)18-13-14-10-7-5-6-8-11(10)16(13)4/h5-9H,1-4H3
InChIKeyVUVNIIBJTMHPIS-UHFFFAOYSA-N
XLogP2.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylpropanamide
CID 55390499
(2S)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 40667482
(2R)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 40667483
N-(3-chloro-2-methylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46630033
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 17454322
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 7024220
N-(2,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46630035
N-[2-(4-methoxyphenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 51234522
(2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 40670366
N,N-dimethyl-2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 43573947
N-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46674723
N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 6489112

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of N,N-dimethyl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide (CID 51209021) is N,N-dimethyl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for N,N-dimethyl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for N,N-dimethyl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide is CC(Sc1nc2ccccc2n1C)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide?
The InChIKey is VUVNIIBJTMHPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9(12(17)15(2)3)18-13-14-10-7-5-6-8-11(10)16(13)4/h5-9H,1-4H3.
What are the key properties of N,N-dimethyl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide?
N,N-dimethyl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide has a molecular weight of 263.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 51209021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).