(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-methylpropanamide

C18H19N3OS — CID 7756102

IUPAC(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-methylpropanamide
SMILESC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H19N3OS/c1-13(17(22)21(2)12-14-8-4-3-5-9-14)23-18-19-15-10-6-7-11-16(15)20-18/h3-11,13H,12H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyMZQSQOYNVOQPNR-CYBMUJFWSA-N
MW325.44 g/mol
LogP3.70
Rot. Bonds5

About (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-methylpropanamide

(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-methylpropanamide (PubChem CID 7756102) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-methylpropanamide
PubChem CID7756102
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-methylpropanamide
SMILESC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H19N3OS/c1-13(17(22)21(2)12-14-8-4-3-5-9-14)23-18-19-15-10-6-7-11-16(15)20-18/h3-11,13H,12H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyMZQSQOYNVOQPNR-CYBMUJFWSA-N
XLogP3.70
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 591299
3-(1H-benzimidazol-2-ylsulfanyl)-2-benzylbutanoic acid
CID 70493776
2-(1H-benzimidazol-2-ylsulfanyl)-3-phenylpropanoic acid
CID 16649578
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-3-phenylpropanoic acid
CID 42066690
(2S)-N-benzyl-N-methyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide
CID 7168919
(2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
CID 39074879
N'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide
CID 40520069
(2S)-N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 94820858
(2R)-N-benzyl-N-methyl-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7855841
3-amino-2-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 64695466
N-benzyl-N-methyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 42981563
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(tert-butylcarbamoyl)propanamide
CID 40665072

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-methylpropanamide?
The IUPAC name of (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-methylpropanamide (CID 7756102) is (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-methylpropanamide.
What is the SMILES notation for (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-methylpropanamide?
The canonical SMILES for (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-methylpropanamide is C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-methylpropanamide?
The InChIKey is MZQSQOYNVOQPNR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13(17(22)21(2)12-14-8-4-3-5-9-14)23-18-19-15-10-6-7-11-16(15)20-18/h3-11,13H,12H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-methylpropanamide?
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-methylpropanamide has a molecular weight of 325.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-methylpropanamide is sourced from PubChem (CID 7756102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).