N-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide

C14H18N4O2S — CID 166196952

IUPACN-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide
SMILESCNC(=O)CCNC(=O)CSc1nc2ccccc2n1C
InChIInChI=1S/C14H18N4O2S/c1-15-12(19)7-8-16-13(20)9-21-14-17-10-5-3-4-6-11(10)18(14)2/h3-6H,7-9H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyLLBKDQOWSWTZGK-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.92
Rot. Bonds6

About N-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide

N-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide (PubChem CID 166196952) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide
PubChem CID166196952
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide
SMILESCNC(=O)CCNC(=O)CSc1nc2ccccc2n1C
InChIInChI=1S/C14H18N4O2S/c1-15-12(19)7-8-16-13(20)9-21-14-17-10-5-3-4-6-11(10)18(14)2/h3-6H,7-9H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyLLBKDQOWSWTZGK-UHFFFAOYSA-N
XLogP0.92
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]butanoate
CID 51139099
N-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 17405689
N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 21226926
N-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 17417102
N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 37053385
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide
CID 17424889
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 37053168
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
CID 33245985
N'-[1-(2-chlorophenyl)ethenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetohydrazide
CID 7005933
N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 4789081
N-(2,4-dibromophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 4320150
N-[1-(2-chlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 3819255

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide?
The IUPAC name of N-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide (CID 166196952) is N-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide.
What is the SMILES notation for N-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide?
The canonical SMILES for N-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide is CNC(=O)CCNC(=O)CSc1nc2ccccc2n1C.
What is the InChIKey of N-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide?
The InChIKey is LLBKDQOWSWTZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-15-12(19)7-8-16-13(20)9-21-14-17-10-5-3-4-6-11(10)18(14)2/h3-6H,7-9H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of N-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide?
N-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide has a molecular weight of 306.39 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide is sourced from PubChem (CID 166196952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).