2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-methylpyrimidin-2-yl)acetamide

C16H17N5OS — CID 4880453

IUPAC2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-methylpyrimidin-2-yl)acetamide
SMILESCCn1c(SCC(=O)Nc2nccc(C)n2)nc2ccccc21
InChIInChI=1S/C16H17N5OS/c1-3-21-13-7-5-4-6-12(13)19-16(21)23-10-14(22)20-15-17-9-8-11(2)18-15/h4-9H,3,10H2,1-2H3,(H,17,18,20,22)
InChIKeyUBKAPAAQVKZGDK-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.89
Rot. Bonds5

About 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-methylpyrimidin-2-yl)acetamide

2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-methylpyrimidin-2-yl)acetamide (PubChem CID 4880453) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-methylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-methylpyrimidin-2-yl)acetamide
PubChem CID4880453
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-methylpyrimidin-2-yl)acetamide
SMILESCCn1c(SCC(=O)Nc2nccc(C)n2)nc2ccccc21
InChIInChI=1S/C16H17N5OS/c1-3-21-13-7-5-4-6-12(13)19-16(21)23-10-14(22)20-15-17-9-8-11(2)18-15/h4-9H,3,10H2,1-2H3,(H,17,18,20,22)
InChIKeyUBKAPAAQVKZGDK-UHFFFAOYSA-N
XLogP2.89
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-Methylimidazo[1,2-A]pyridin-3-YL)-2-pyrimidinyl]acetamide
CID 447652
(2S)-1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 44454946
2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide
CID 9580009
2-({Imidazo[1,2-a]pyridin-2-ylmethyl}sulfanyl)-6-methylpyrimidin-4-ol
CID 135468839
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-phenyl-1,3-thiazol-2-amine
CID 697303
2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone
CID 757389
N-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)acetamide
CID 1117212
dCeMM3
CID 684872
N-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]acetamide
CID 71457188
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N,N-diethylacetamide
CID 1432270
2-[3-(1H-Benzoimidazol-2-yl)-pyridin-2-ylsulfanyl]-N-isopropyl-acetamide
CID 1432472
2-[3-(1H-Benzoimidazol-2-yl)-pyridin-2-ylsulfanyl]-N-tert-butyl-acetamide
CID 1432482

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-methylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-methylpyrimidin-2-yl)acetamide (CID 4880453) is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-methylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-methylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-methylpyrimidin-2-yl)acetamide is CCn1c(SCC(=O)Nc2nccc(C)n2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-methylpyrimidin-2-yl)acetamide?
The InChIKey is UBKAPAAQVKZGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-3-21-13-7-5-4-6-12(13)19-16(21)23-10-14(22)20-15-17-9-8-11(2)18-15/h4-9H,3,10H2,1-2H3,(H,17,18,20,22).
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-methylpyrimidin-2-yl)acetamide?
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-methylpyrimidin-2-yl)acetamide has a molecular weight of 327.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-methylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 4880453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).