[3-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone

C18H18FN5O — CID 154798378

IUPAC[3-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESCn1c(NC2CCN(C(=O)c3cccnc3)C2)nc2c(F)cccc21
InChIInChI=1S/C18H18FN5O/c1-23-15-6-2-5-14(19)16(15)22-18(23)21-13-7-9-24(11-13)17(25)12-4-3-8-20-10-12/h2-6,8,10,13H,7,9,11H2,1H3,(H,21,22)
InChIKeyUKCZNTLAAYKKLG-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.43
Rot. Bonds3

About [3-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone

[3-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 154798378) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is [3-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID154798378
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name[3-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESCn1c(NC2CCN(C(=O)c3cccnc3)C2)nc2c(F)cccc21
InChIInChI=1S/C18H18FN5O/c1-23-15-6-2-5-14(19)16(15)22-18(23)21-13-7-9-24(11-13)17(25)12-4-3-8-20-10-12/h2-6,8,10,13H,7,9,11H2,1H3,(H,21,22)
InChIKeyUKCZNTLAAYKKLG-UHFFFAOYSA-N
XLogP2.43
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338
(2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107427
(E)-3-(2-fluorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide
CID 108924924
1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea
CID 97227779
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 45180036
[3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone
CID 24817805
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 108563311
[(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone
CID 98470590
1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918253
[4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95809453
1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821121

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 154798378) is [3-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone is Cn1c(NC2CCN(C(=O)c3cccnc3)C2)nc2c(F)cccc21.
What is the InChIKey of [3-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is UKCZNTLAAYKKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-23-15-6-2-5-14(19)16(15)22-18(23)21-13-7-9-24(11-13)17(25)12-4-3-8-20-10-12/h2-6,8,10,13H,7,9,11H2,1H3,(H,21,22).
What are the key properties of [3-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
[3-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 339.37 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 154798378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).