2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

C18H26N4O2S — CID 37053168

IUPAC2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCn1c(SCC(=O)NCC(C)(C)N2CCOCC2)nc2ccccc21
InChIInChI=1S/C18H26N4O2S/c1-18(2,22-8-10-24-11-9-22)13-19-16(23)12-25-17-20-14-6-4-5-7-15(14)21(17)3/h4-7H,8-13H2,1-3H3,(H,19,23)
InChIKeyMBFZEDQLBKPZAO-UHFFFAOYSA-N
MW362.50 g/mol
LogP1.89
Rot. Bonds6

About 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (PubChem CID 37053168) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
PubChem CID37053168
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCn1c(SCC(=O)NCC(C)(C)N2CCOCC2)nc2ccccc21
InChIInChI=1S/C18H26N4O2S/c1-18(2,22-8-10-24-11-9-22)13-19-16(23)12-25-17-20-14-6-4-5-7-15(14)21(17)3/h4-7H,8-13H2,1-3H3,(H,19,23)
InChIKeyMBFZEDQLBKPZAO-UHFFFAOYSA-N
XLogP1.89
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 34371592
2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 24580273
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 34380670
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 46668800
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 51163397
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8917085
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8682568
2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 30942831
N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 21226926
N-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide
CID 166196952
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8684087
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8799351

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (CID 37053168) is 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is Cn1c(SCC(=O)NCC(C)(C)N2CCOCC2)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The InChIKey is MBFZEDQLBKPZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-18(2,22-8-10-24-11-9-22)13-19-16(23)12-25-17-20-14-6-4-5-7-15(14)21(17)3/h4-7H,8-13H2,1-3H3,(H,19,23).
What are the key properties of 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide has a molecular weight of 362.50 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 37053168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).