2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C21H23N3O2 — CID 24587471

IUPAC2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCCn1c(=O)n(CC(=O)NC2CCCc3ccccc32)c2ccccc21
InChIInChI=1S/C21H23N3O2/c1-2-23-18-12-5-6-13-19(18)24(21(23)26)14-20(25)22-17-11-7-9-15-8-3-4-10-16(15)17/h3-6,8,10,12-13,17H,2,7,9,11,14H2,1H3,(H,22,25)
InChIKeyMXTXHMXENXHJPG-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.02
Rot. Bonds4

About 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 24587471) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID24587471
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCCn1c(=O)n(CC(=O)NC2CCCc3ccccc32)c2ccccc21
InChIInChI=1S/C21H23N3O2/c1-2-23-18-12-5-6-13-19(18)24(21(23)26)14-20(25)22-17-11-7-9-15-8-3-4-10-16(15)17/h3-6,8,10,12-13,17H,2,7,9,11,14H2,1H3,(H,22,25)
InChIKeyMXTXHMXENXHJPG-UHFFFAOYSA-N
XLogP3.02
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7823957
N-cyclopropyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 17445359
2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7819453
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7802621
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 18121435
2-(benzimidazol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40512092
2-(2-methylpiperidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51170933
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7688342
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7046162
2-(4-cyano-1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25387398
2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 129421535
2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7826024

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 24587471) is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CCn1c(=O)n(CC(=O)NC2CCCc3ccccc32)c2ccccc21.
What is the InChIKey of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is MXTXHMXENXHJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-23-18-12-5-6-13-19(18)24(21(23)26)14-20(25)22-17-11-7-9-15-8-3-4-10-16(15)17/h3-6,8,10,12-13,17H,2,7,9,11,14H2,1H3,(H,22,25).
What are the key properties of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 24587471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).