2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C16H19N3O2 — CID 42904819

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESO=C(CC1CC2CCC1C2)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H19N3O2/c20-15(7-11-6-9-1-2-10(11)5-9)17-12-3-4-13-14(8-12)19-16(21)18-13/h3-4,8-11H,1-2,5-7H2,(H,17,20)(H2,18,19,21)
InChIKeyLWLWUQUTUIYYMB-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.62
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 42904819) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID42904819
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESO=C(CC1CC2CCC1C2)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H19N3O2/c20-15(7-11-6-9-1-2-10(11)5-9)17-12-3-4-13-14(8-12)19-16(21)18-13/h3-4,8-11H,1-2,5-7H2,(H,17,20)(H2,18,19,21)
InChIKeyLWLWUQUTUIYYMB-UHFFFAOYSA-N
XLogP2.62
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448
N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11914325
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
CID 23307105
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
CID 7740170
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 51153512
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 4811761
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 98729953
N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 18074570
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 11932194
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 11915186
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]acetamide
CID 126834418

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 42904819) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is O=C(CC1CC2CCC1C2)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is LWLWUQUTUIYYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15(7-11-6-9-1-2-10(11)5-9)17-12-3-4-13-14(8-12)19-16(21)18-13/h3-4,8-11H,1-2,5-7H2,(H,17,20)(H2,18,19,21).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 42904819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).