3-[[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]-N-methylbenzamide

C20H22N4O2S — CID 55632429

IUPAC3-[[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]-N-methylbenzamide
SMILESCCn1c(SCC(=O)NCc2cccc(C(=O)NC)c2)nc2ccccc21
InChIInChI=1S/C20H22N4O2S/c1-3-24-17-10-5-4-9-16(17)23-20(24)27-13-18(25)22-12-14-7-6-8-15(11-14)19(26)21-2/h4-11H,3,12-13H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyVAINCMGLQRAQGD-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.82
Rot. Bonds7

About 3-[[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]-N-methylbenzamide

3-[[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]-N-methylbenzamide (PubChem CID 55632429) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-[[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]-N-methylbenzamide
PubChem CID55632429
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name3-[[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]-N-methylbenzamide
SMILESCCn1c(SCC(=O)NCc2cccc(C(=O)NC)c2)nc2ccccc21
InChIInChI=1S/C20H22N4O2S/c1-3-24-17-10-5-4-9-16(17)23-20(24)27-13-18(25)22-12-14-7-6-8-15(11-14)19(26)21-2/h4-11H,3,12-13H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyVAINCMGLQRAQGD-UHFFFAOYSA-N
XLogP2.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
CID 46347404
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 51181909
N-(3,4-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171467
4-[[[2-[2-[2-[(4-carboxyphenyl)methylamino]-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetyl]amino]methyl]benzoic acid
CID 4280142
N-methyl-3-[[[2-(2-methylindol-1-yl)acetyl]amino]methyl]benzamide
CID 30858933
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
N-(2,6-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171502
N-(2,6-difluorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7246603
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340390
N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171399
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 134013981
N-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide
CID 7173108

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]-N-methylbenzamide (CID 55632429) is 3-[[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]-N-methylbenzamide is CCn1c(SCC(=O)NCc2cccc(C(=O)NC)c2)nc2ccccc21.
What is the InChIKey of 3-[[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]-N-methylbenzamide?
The InChIKey is VAINCMGLQRAQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-3-24-17-10-5-4-9-16(17)23-20(24)27-13-18(25)22-12-14-7-6-8-15(11-14)19(26)21-2/h4-11H,3,12-13H2,1-2H3,(H,21,26)(H,22,25).
What are the key properties of 3-[[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]-N-methylbenzamide?
3-[[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]-N-methylbenzamide has a molecular weight of 382.49 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 55632429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).