[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methanone

C19H23N3O — CID 99849761

IUPAC[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methanone
SMILESO=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CCC[C@@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C19H23N3O/c23-19(14-11-12-7-8-13(14)10-12)22-9-3-6-17(22)18-20-15-4-1-2-5-16(15)21-18/h1-2,4-5,12-14,17H,3,6-11H2,(H,20,21)/t12-,13+,14-,17+/m0/s1
InChIKeyCKDOXQLTSQDWES-QDEZUTFSSA-N
MW309.41 g/mol
LogP3.66
Rot. Bonds2

About [(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methanone

[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methanone (PubChem CID 99849761) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methanone
PubChem CID99849761
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methanone
SMILESO=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CCC[C@@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C19H23N3O/c23-19(14-11-12-7-8-13(14)10-12)22-9-3-6-17(22)18-20-15-4-1-2-5-16(15)21-18/h1-2,4-5,12-14,17H,3,6-11H2,(H,20,21)/t12-,13+,14-,17+/m0/s1
InChIKeyCKDOXQLTSQDWES-QDEZUTFSSA-N
XLogP3.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 51331975
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-tert-butylphenyl)methanone
CID 25388696
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 92512790
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 110225725
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 92576442
4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110205528
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 126469939
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 51270033
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
CID 94485231

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methanone?
The IUPAC name of [(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methanone (CID 99849761) is [(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methanone.
What is the SMILES notation for [(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methanone?
The canonical SMILES for [(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methanone is O=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CCC[C@@H]1c1nc2ccccc2[nH]1.
What is the InChIKey of [(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methanone?
The InChIKey is CKDOXQLTSQDWES-QDEZUTFSSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(14-11-12-7-8-13(14)10-12)22-9-3-6-17(22)18-20-15-4-1-2-5-16(15)21-18/h1-2,4-5,12-14,17H,3,6-11H2,(H,20,21)/t12-,13+,14-,17+/m0/s1.
What are the key properties of [(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methanone?
[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methanone has a molecular weight of 309.41 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methanone is sourced from PubChem (CID 99849761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).