2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)acetamide

C18H27N3O2S — CID 111480163

IUPAC2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
SMILESCCn1c(SCC(=O)NCC(C)(C)CC(C)O)nc2ccccc21
InChIInChI=1S/C18H27N3O2S/c1-5-21-15-9-7-6-8-14(15)20-17(21)24-11-16(23)19-12-18(3,4)10-13(2)22/h6-9,13,22H,5,10-12H2,1-4H3,(H,19,23)
InChIKeyYVBLBVCWTJQTFW-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.06
Rot. Bonds8

About 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)acetamide

2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)acetamide (PubChem CID 111480163) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)acetamide.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
PubChem CID111480163
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
SMILESCCn1c(SCC(=O)NCC(C)(C)CC(C)O)nc2ccccc21
InChIInChI=1S/C18H27N3O2S/c1-5-21-15-9-7-6-8-14(15)20-17(21)24-11-16(23)19-12-18(3,4)10-13(2)22/h6-9,13,22H,5,10-12H2,1-4H3,(H,19,23)
InChIKeyYVBLBVCWTJQTFW-UHFFFAOYSA-N
XLogP3.06
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171399
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 112789303
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 110888361
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
N-(2,6-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171502
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340390
N-[4-[(2R)-butan-2-yl]phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171496
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 40829608
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 51181909
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 60554948
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 60594664
2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 24580273

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)acetamide?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)acetamide (CID 111480163) is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)acetamide.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)acetamide?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)acetamide is CCn1c(SCC(=O)NCC(C)(C)CC(C)O)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)acetamide?
The InChIKey is YVBLBVCWTJQTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-5-21-15-9-7-6-8-14(15)20-17(21)24-11-16(23)19-12-18(3,4)10-13(2)22/h6-9,13,22H,5,10-12H2,1-4H3,(H,19,23).
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)acetamide?
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)acetamide has a molecular weight of 349.50 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)acetamide is sourced from PubChem (CID 111480163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).