[6-(benzimidazol-1-yl)-3-pyridinyl]-[3-(3-fluorophenyl)pyrrolidin-1-yl]methanone

C23H19FN4O — CID 146086211

IUPAC[6-(benzimidazol-1-yl)-3-pyridinyl]-[3-(3-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(-n2cnc3ccccc32)nc1)N1CCC(c2cccc(F)c2)C1
InChIInChI=1S/C23H19FN4O/c24-19-5-3-4-16(12-19)18-10-11-27(14-18)23(29)17-8-9-22(25-13-17)28-15-26-20-6-1-2-7-21(20)28/h1-9,12-13,15,18H,10-11,14H2
InChIKeySEIAPGSIQPFTSU-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.19
Rot. Bonds3

About [6-(benzimidazol-1-yl)-3-pyridinyl]-[3-(3-fluorophenyl)pyrrolidin-1-yl]methanone

[6-(benzimidazol-1-yl)-3-pyridinyl]-[3-(3-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 146086211) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is [6-(benzimidazol-1-yl)-3-pyridinyl]-[3-(3-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(benzimidazol-1-yl)-3-pyridinyl]-[3-(3-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID146086211
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name[6-(benzimidazol-1-yl)-3-pyridinyl]-[3-(3-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(-n2cnc3ccccc32)nc1)N1CCC(c2cccc(F)c2)C1
InChIInChI=1S/C23H19FN4O/c24-19-5-3-4-16(12-19)18-10-11-27(14-18)23(29)17-8-9-22(25-13-17)28-15-26-20-6-1-2-7-21(20)28/h1-9,12-13,15,18H,10-11,14H2
InChIKeySEIAPGSIQPFTSU-UHFFFAOYSA-N
XLogP4.19
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154860646
[3-[3-[6-(benzimidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 154844131
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[4-(benzimidazol-1-yl)phenyl]methanone
CID 40716447
[4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488829
(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608444
methyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate
CID 4298771
[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95205942
(1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 46981412
6-[3-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 75371100
4-[6-(benzimidazol-1-yl)pyridine-3-carbonyl]-3-(2-methylpropyl)-1,4-diazepan-2-one
CID 155947482
[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56753630
[3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 126778912

Frequently Asked Questions

What is the IUPAC name of [6-(benzimidazol-1-yl)-3-pyridinyl]-[3-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [6-(benzimidazol-1-yl)-3-pyridinyl]-[3-(3-fluorophenyl)pyrrolidin-1-yl]methanone (CID 146086211) is [6-(benzimidazol-1-yl)-3-pyridinyl]-[3-(3-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(benzimidazol-1-yl)-3-pyridinyl]-[3-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(benzimidazol-1-yl)-3-pyridinyl]-[3-(3-fluorophenyl)pyrrolidin-1-yl]methanone is O=C(c1ccc(-n2cnc3ccccc32)nc1)N1CCC(c2cccc(F)c2)C1.
What is the InChIKey of [6-(benzimidazol-1-yl)-3-pyridinyl]-[3-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is SEIAPGSIQPFTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c24-19-5-3-4-16(12-19)18-10-11-27(14-18)23(29)17-8-9-22(25-13-17)28-15-26-20-6-1-2-7-21(20)28/h1-9,12-13,15,18H,10-11,14H2.
What are the key properties of [6-(benzimidazol-1-yl)-3-pyridinyl]-[3-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
[6-(benzimidazol-1-yl)-3-pyridinyl]-[3-(3-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 386.43 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(benzimidazol-1-yl)-3-pyridinyl]-[3-(3-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 146086211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).