2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide

C18H23N3O2 — CID 98729953

IUPAC2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)ccc21
InChIInChI=1S/C18H23N3O2/c1-20-15-6-5-14(10-16(15)21(2)18(20)23)19-17(22)9-13-8-11-3-4-12(13)7-11/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,19,22)/t11-,12-,13+/m0/s1
InChIKeyBCUGHNCTKCXBGY-RWMBFGLXSA-N
MW313.40 g/mol
LogP2.64
Rot. Bonds3

About 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide

2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide (PubChem CID 98729953) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
PubChem CID98729953
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)ccc21
InChIInChI=1S/C18H23N3O2/c1-20-15-6-5-14(10-16(15)21(2)18(20)23)19-17(22)9-13-8-11-3-4-12(13)7-11/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,19,22)/t11-,12-,13+/m0/s1
InChIKeyBCUGHNCTKCXBGY-RWMBFGLXSA-N
XLogP2.64
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
CID 47067439
N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11914325
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 18074570
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-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 42904819
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774532
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774533
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 4811761
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 11932194

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide (CID 98729953) is 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide is Cn1c(=O)n(C)c2cc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)ccc21.
What is the InChIKey of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The InChIKey is BCUGHNCTKCXBGY-RWMBFGLXSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-20-15-6-5-14(10-16(15)21(2)18(20)23)19-17(22)9-13-8-11-3-4-12(13)7-11/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,19,22)/t11-,12-,13+/m0/s1.
What are the key properties of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 98729953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).