2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-tert-butylacetamide

C18H20N4OS — CID 1432482

IUPAC2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CSc1ncccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C18H20N4OS/c1-18(2,3)22-15(23)11-24-17-12(7-6-10-19-17)16-20-13-8-4-5-9-14(13)21-16/h4-10H,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyYOBPDFMRXKMZKU-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.63
Rot. Bonds4

About 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-tert-butylacetamide

2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-tert-butylacetamide (PubChem CID 1432482) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-tert-butylacetamide
PubChem CID1432482
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CSc1ncccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C18H20N4OS/c1-18(2,3)22-15(23)11-24-17-12(7-6-10-19-17)16-20-13-8-4-5-9-14(13)21-16/h4-10H,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyYOBPDFMRXKMZKU-UHFFFAOYSA-N
XLogP3.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

K-604
CID 9892288
2-(4-(2-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)piperazin-1-yl)-N-(6-methyl-2,4-bis(methylthio)pyridin-3-yl)acetamide hydrochloride
CID 10256727
Disuprazole
CID 65861
6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole
CID 3012527
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-(6-methylpyridin-3-yl)ethanone
CID 117740323
2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide
CID 9580009
2-[(1H-Benzimidazol-2-ylmethyl)sulfanyl]-4,6-dimethylnicotinonitrile
CID 596156
2-{3H-Imidazo[4,5-B]pyridin-2-ylsulfanyl}-N-(2-phenylethyl)acetamide
CID 606016
2-(6-methylpyridin-3-yl)-1H-benzimidazole
CID 754376
N-(2-Ethylphenyl)-2-(3h-Imidazo[4,5-B]pyridin-2-Ylsulfanyl)acetamide
CID 1264291
dCeMM3
CID 684872
2-[(4-Fluorophenyl)methylthio]imidazo[5,4-b]pyridine
CID 778306

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-tert-butylacetamide?
The IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-tert-butylacetamide (CID 1432482) is 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-tert-butylacetamide?
The canonical SMILES for 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-tert-butylacetamide is CC(C)(C)NC(=O)CSc1ncccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-tert-butylacetamide?
The InChIKey is YOBPDFMRXKMZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-18(2,3)22-15(23)11-24-17-12(7-6-10-19-17)16-20-13-8-4-5-9-14(13)21-16/h4-10H,11H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-tert-butylacetamide?
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-tert-butylacetamide has a molecular weight of 340.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-tert-butylacetamide is sourced from PubChem (CID 1432482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).