3-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(methylsulfanylmethyl)phenyl]propanamide

C19H21N3OS — CID 56791675

IUPAC3-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(methylsulfanylmethyl)phenyl]propanamide
SMILESCSCc1cccc(NC(=O)CCc2nc3ccccc3[nH]2)c1C
InChIInChI=1S/C19H21N3OS/c1-13-14(12-24-2)6-5-9-15(13)22-19(23)11-10-18-20-16-7-3-4-8-17(16)21-18/h3-9H,10-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyQDABUXWUFWJFTB-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.31
Rot. Bonds6

About 3-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(methylsulfanylmethyl)phenyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(methylsulfanylmethyl)phenyl]propanamide (PubChem CID 56791675) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(methylsulfanylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(methylsulfanylmethyl)phenyl]propanamide
PubChem CID56791675
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(methylsulfanylmethyl)phenyl]propanamide
SMILESCSCc1cccc(NC(=O)CCc2nc3ccccc3[nH]2)c1C
InChIInChI=1S/C19H21N3OS/c1-13-14(12-24-2)6-5-9-15(13)22-19(23)11-10-18-20-16-7-3-4-8-17(16)21-18/h3-9H,10-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyQDABUXWUFWJFTB-UHFFFAOYSA-N
XLogP4.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide
CID 167959387
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CID 7450193
3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide
CID 27449333
3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
CID 18811132
N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethoxyacetamide
CID 46328498
ethyl 3-[3-(1H-benzimidazol-2-yl)propanoylamino]benzoate
CID 34202274
3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
CID 35955632
N-(2-ethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164668
3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide
CID 46567336
ethyl N-[3-(1H-benzimidazol-2-yl)propanoylamino]carbamate
CID 43042112
3-(1H-benzimidazol-2-yl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
CID 31039066
4-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49340123

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(methylsulfanylmethyl)phenyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(methylsulfanylmethyl)phenyl]propanamide (CID 56791675) is 3-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(methylsulfanylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(methylsulfanylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(methylsulfanylmethyl)phenyl]propanamide is CSCc1cccc(NC(=O)CCc2nc3ccccc3[nH]2)c1C.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(methylsulfanylmethyl)phenyl]propanamide?
The InChIKey is QDABUXWUFWJFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-13-14(12-24-2)6-5-9-15(13)22-19(23)11-10-18-20-16-7-3-4-8-17(16)21-18/h3-9H,10-12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(methylsulfanylmethyl)phenyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(methylsulfanylmethyl)phenyl]propanamide has a molecular weight of 339.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(methylsulfanylmethyl)phenyl]propanamide is sourced from PubChem (CID 56791675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).