2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide

C17H24N4O2S — CID 51106173

IUPAC2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
SMILESCC(CN1CCOCC1)NC(=O)CSCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H24N4O2S/c1-13(10-21-6-8-23-9-7-21)18-17(22)12-24-11-16-19-14-4-2-3-5-15(14)20-16/h2-5,13H,6-12H2,1H3,(H,18,22)(H,19,20)
InChIKeyDFNUHQKSVROQEI-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.63
Rot. Bonds7

About 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide

2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide (PubChem CID 51106173) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
PubChem CID51106173
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
SMILESCC(CN1CCOCC1)NC(=O)CSCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H24N4O2S/c1-13(10-21-6-8-23-9-7-21)18-17(22)12-24-11-16-19-14-4-2-3-5-15(14)20-16/h2-5,13H,6-12H2,1H3,(H,18,22)(H,19,20)
InChIKeyDFNUHQKSVROQEI-UHFFFAOYSA-N
XLogP1.63
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-morpholin-4-ylacetamide
CID 97341345
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzylacetamide
CID 847863
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 56786848
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8761822
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-bromophenyl)acetamide
CID 8713802
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-chlorophenyl)acetamide
CID 8762462
ethyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)acetate
CID 47117793
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 583439
(E)-3-(1,3-benzoxazol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)prop-2-enamide
CID 51083819
1-(1,3-benzothiazol-2-yl)-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 51080589
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
CID 41036841
2-[2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]-1H-benzimidazole
CID 13163511

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide (CID 51106173) is 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide is CC(CN1CCOCC1)NC(=O)CSCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide?
The InChIKey is DFNUHQKSVROQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-13(10-21-6-8-23-9-7-21)18-17(22)12-24-11-16-19-14-4-2-3-5-15(14)20-16/h2-5,13H,6-12H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide?
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide has a molecular weight of 348.47 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide is sourced from PubChem (CID 51106173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).