2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C15H16N4O2S — CID 17454322

IUPAC2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)C(C)Sc2nc3ccccc3n2C)on1
InChIInChI=1S/C15H16N4O2S/c1-9-8-13(21-18-9)17-14(20)10(2)22-15-16-11-6-4-5-7-12(11)19(15)3/h4-8,10H,1-3H3,(H,17,20)
InChIKeyIGBWDONOOJSVBL-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.99
Rot. Bonds4

About 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide

2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 17454322) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID17454322
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)C(C)Sc2nc3ccccc3n2C)on1
InChIInChI=1S/C15H16N4O2S/c1-9-8-13(21-18-9)17-14(20)10(2)22-15-16-11-6-4-5-7-12(11)19(15)3/h4-8,10H,1-3H3,(H,17,20)
InChIKeyIGBWDONOOJSVBL-UHFFFAOYSA-N
XLogP2.99
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)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

N-(3-methyl-1,2-oxazol-5-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51327601
(2S)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 40667482
(2R)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 40667483
2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 86915375
N-(2,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46630035
N-(3-chloro-2-methylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46630033
N-(3-methyl-1,2-oxazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51307121
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 7024220
2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 24619005
N-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46674723
2-(2-methoxyphenyl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 60593777
N,N-dimethyl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 51209021

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 17454322) is 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)C(C)Sc2nc3ccccc3n2C)on1.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is IGBWDONOOJSVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9-8-13(21-18-9)17-14(20)10(2)22-15-16-11-6-4-5-7-12(11)19(15)3/h4-8,10H,1-3H3,(H,17,20).
What are the key properties of 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 316.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 17454322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).