3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone

C20H21N3O — CID 47066259

IUPAC3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCCC1CCc1ccccc1
InChIInChI=1S/C20H21N3O/c24-20(16-9-11-18-19(13-16)22-14-21-18)23-12-4-7-17(23)10-8-15-5-2-1-3-6-15/h1-3,5-6,9,11,13-14,17H,4,7-8,10,12H2,(H,21,22)
InChIKeyJFTLEEFNJXIXPQ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.80
Rot. Bonds4

About 3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone

3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone (PubChem CID 47066259) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
PubChem CID47066259
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCCC1CCc1ccccc1
InChIInChI=1S/C20H21N3O/c24-20(16-9-11-18-19(13-16)22-14-21-18)23-12-4-7-17(23)10-8-15-5-2-1-3-6-15/h1-3,5-6,9,11,13-14,17H,4,7-8,10,12H2,(H,21,22)
InChIKeyJFTLEEFNJXIXPQ-UHFFFAOYSA-N
XLogP3.80
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 43421691
5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 136578028
(2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 55923674
3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607686
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 43582965
[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 124962989
3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 18847477
N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 119631600
[(2S)-2-(2-phenylethyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 96579588
1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 94616102
3H-benzimidazol-5-yl-[4-(2-phenylethylsulfonyl)piperazin-1-yl]methanone
CID 110347120
[(4aS,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-benzimidazol-5-yl)methanone
CID 52933602

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone (CID 47066259) is 3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone is O=C(c1ccc2nc[nH]c2c1)N1CCCC1CCc1ccccc1.
What is the InChIKey of 3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The InChIKey is JFTLEEFNJXIXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c24-20(16-9-11-18-19(13-16)22-14-21-18)23-12-4-7-17(23)10-8-15-5-2-1-3-6-15/h1-3,5-6,9,11,13-14,17H,4,7-8,10,12H2,(H,21,22).
What are the key properties of 3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone has a molecular weight of 319.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 47066259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).