2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

C19H28N4O2S — CID 42896713

IUPAC2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCc1ccc2nc(SCC(=O)NCC3CN(CC(C)C)CCO3)[nH]c2c1
InChIInChI=1S/C19H28N4O2S/c1-13(2)10-23-6-7-25-15(11-23)9-20-18(24)12-26-19-21-16-5-4-14(3)8-17(16)22-19/h4-5,8,13,15H,6-7,9-12H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyLKIHMHZGEKKIDB-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.44
Rot. Bonds7

About 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (PubChem CID 42896713) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
PubChem CID42896713
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCc1ccc2nc(SCC(=O)NCC3CN(CC(C)C)CCO3)[nH]c2c1
InChIInChI=1S/C19H28N4O2S/c1-13(2)10-23-6-7-25-15(11-23)9-20-18(24)12-26-19-21-16-5-4-14(3)8-17(16)22-19/h4-5,8,13,15H,6-7,9-12H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyLKIHMHZGEKKIDB-UHFFFAOYSA-N
XLogP2.44
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434
2-(3,4-difluorophenyl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51216467
3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 134032540
N-[(2R)-butan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2522881
N-[(2S)-butan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2522885
2-(5-methyl-2-propan-2-ylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 46684442
2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 46684440
2-amino-2-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 120669400
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylpropyl)acetamide
CID 16524013
1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 4798763
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55534983
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-prop-2-enylacetamide
CID 2522055

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (CID 42896713) is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is Cc1ccc2nc(SCC(=O)NCC3CN(CC(C)C)CCO3)[nH]c2c1.
What is the InChIKey of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The InChIKey is LKIHMHZGEKKIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-13(2)10-23-6-7-25-15(11-23)9-20-18(24)12-26-19-21-16-5-4-14(3)8-17(16)22-19/h4-5,8,13,15H,6-7,9-12H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide has a molecular weight of 376.53 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 42896713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).