2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

C22H32N4O2S — CID 78770485

IUPAC2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESCC(SCC(=O)NCC1(N2CCOCC2)CCCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H32N4O2S/c1-17(21-24-18-7-3-4-8-19(18)25-21)29-15-20(27)23-16-22(9-5-2-6-10-22)26-11-13-28-14-12-26/h3-4,7-8,17H,2,5-6,9-16H2,1H3,(H,23,27)(H,24,25)
InChIKeyNBDWLJFGGVXRMI-UHFFFAOYSA-N
MW416.59 g/mol
LogP3.51
Rot. Bonds7

About 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 78770485) has the molecular formula C22H32N4O2S and a molecular weight of 416.59 g/mol. Its IUPAC name is 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
PubChem CID78770485
Molecular FormulaC22H32N4O2S
Molecular Weight416.59 g/mol
Exact Mass416.22
IUPAC Name2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESCC(SCC(=O)NCC1(N2CCOCC2)CCCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H32N4O2S/c1-17(21-24-18-7-3-4-8-19(18)25-21)29-15-20(27)23-16-22(9-5-2-6-10-22)26-11-13-28-14-12-26/h3-4,7-8,17H,2,5-6,9-16H2,1H3,(H,23,27)(H,24,25)
InChIKeyNBDWLJFGGVXRMI-UHFFFAOYSA-N
XLogP3.51
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide with MolForge

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Related Compounds

2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111560551
2-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 112794659
4-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]butanoic acid
CID 119352431
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 112794844
(2R)-2-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]propanoic acid
CID 119369735
2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 25347930
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 86907323
N-[(1-morpholin-4-ylcyclohexyl)methyl]octanamide
CID 134015029
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 84830739
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 55479308
N-(1-amino-2-methylpropan-2-yl)-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide
CID 119522351
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(2-ethylcyclohexyl)acetamide
CID 78864043

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (CID 78770485) is 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is CC(SCC(=O)NCC1(N2CCOCC2)CCCCC1)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The InChIKey is NBDWLJFGGVXRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2S/c1-17(21-24-18-7-3-4-8-19(18)25-21)29-15-20(27)23-16-22(9-5-2-6-10-22)26-11-13-28-14-12-26/h3-4,7-8,17H,2,5-6,9-16H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 416.59 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 78770485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).