N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

C18H17N5OS — CID 21226926

IUPACN-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCn1c(NC(=O)CSc2nc3ccccc3n2C)nc2ccccc21
InChIInChI=1S/C18H17N5OS/c1-22-14-9-5-3-7-12(14)19-17(22)21-16(24)11-25-18-20-13-8-4-6-10-15(13)23(18)2/h3-10H,11H2,1-2H3,(H,19,21,24)
InChIKeyUPOBFPZBYAIYBY-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.19
Rot. Bonds4

About N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 21226926) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID21226926
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC NameN-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCn1c(NC(=O)CSc2nc3ccccc3n2C)nc2ccccc21
InChIInChI=1S/C18H17N5OS/c1-22-14-9-5-3-7-12(14)19-17(22)21-16(24)11-25-18-20-13-8-4-6-10-15(13)23(18)2/h3-10H,11H2,1-2H3,(H,19,21,24)
InChIKeyUPOBFPZBYAIYBY-UHFFFAOYSA-N
XLogP3.19
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide
CID 17424889
N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 4789081
N-(2,4-dibromophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 4320150
N-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide
CID 166196952
propan-2-yl 3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate
CID 601320
N'-[1-(2-chlorophenyl)ethenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetohydrazide
CID 7005933
N-[1-(2-chlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 3819255
N-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 17405689
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40673833
1-(azocan-1-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 78771129
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 9362571
N-[(4-chlorophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 1354657

Frequently Asked Questions

What is the IUPAC name of N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (CID 21226926) is N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is Cn1c(NC(=O)CSc2nc3ccccc3n2C)nc2ccccc21.
What is the InChIKey of N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is UPOBFPZBYAIYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-22-14-9-5-3-7-12(14)19-17(22)21-16(24)11-25-18-20-13-8-4-6-10-15(13)23(18)2/h3-10H,11H2,1-2H3,(H,19,21,24).
What are the key properties of N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 351.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 21226926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).