[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone

C17H16N4O — CID 121193758

IUPAC[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC(n2cnc3ccccc32)C1
InChIInChI=1S/C17H16N4O/c22-17(15-6-3-4-9-18-15)20-10-8-13(11-20)21-12-19-14-5-1-2-7-16(14)21/h1-7,9,12-13H,8,10-11H2
InChIKeyXDRXETRSJAPXNW-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.52
Rot. Bonds2

About [3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone

[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 121193758) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is [3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID121193758
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC(n2cnc3ccccc32)C1
InChIInChI=1S/C17H16N4O/c22-17(15-6-3-4-9-18-15)20-10-8-13(11-20)21-12-19-14-5-1-2-7-16(14)21/h1-7,9,12-13H,8,10-11H2
InChIKeyXDRXETRSJAPXNW-UHFFFAOYSA-N
XLogP2.52
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 22047977
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
1-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-3-phenylsulfanylpropan-1-one
CID 121193761
4-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-N-tert-butyl-4-oxobutanamide
CID 121193865
[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 62063206
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
[3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 80660201
(4-amino-3-ethylpiperidin-1-yl)-pyridin-2-ylmethanone
CID 81457541
pyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone
CID 121151128
1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone
CID 46090271

Frequently Asked Questions

What is the IUPAC name of [3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 121193758) is [3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCC(n2cnc3ccccc32)C1.
What is the InChIKey of [3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is XDRXETRSJAPXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-17(15-6-3-4-9-18-15)20-10-8-13(11-20)21-12-19-14-5-1-2-7-16(14)21/h1-7,9,12-13H,8,10-11H2.
What are the key properties of [3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone?
[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 292.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 121193758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).