[2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone

C19H17FN4O — CID 56794518

IUPAC[2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC1c1ncc(-c2ccccc2F)[nH]1
InChIInChI=1S/C19H17FN4O/c20-15-5-2-1-4-14(15)16-12-22-18(23-16)17-6-3-11-24(17)19(25)13-7-9-21-10-8-13/h1-2,4-5,7-10,12,17H,3,6,11H2,(H,22,23)
InChIKeyRKLPPSWUBMTVQL-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.59
Rot. Bonds3

About [2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone

[2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 56794518) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is [2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID56794518
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name[2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC1c1ncc(-c2ccccc2F)[nH]1
InChIInChI=1S/C19H17FN4O/c20-15-5-2-1-4-14(15)16-12-22-18(23-16)17-6-3-11-24(17)19(25)13-7-9-21-10-8-13/h1-2,4-5,7-10,12,17H,3,6,11H2,(H,22,23)
InChIKeyRKLPPSWUBMTVQL-UHFFFAOYSA-N
XLogP3.59
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-prop-2-enylsulfanylethanone
CID 95633410
2-[(2S)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-methylpyrimidine
CID 95635150
5-(2-fluorophenyl)-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole
CID 56795192
propyl (2R)-2-[(2R)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propanoate
CID 95783725
2-(5-pyridin-2-yl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid
CID 129096546
tert-butyl 2-[5-(2-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 67517415
[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818958
2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 129096469
(3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 92568441
(2R)-1-[(2R)-2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one
CID 95772014
[(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 124621634
methyl N-[2-[(2S)-2-[5-[3-(2-fluorophenyl)-4-methylphenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 145269727

Frequently Asked Questions

What is the IUPAC name of [2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 56794518) is [2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCCC1c1ncc(-c2ccccc2F)[nH]1.
What is the InChIKey of [2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is RKLPPSWUBMTVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-15-5-2-1-4-14(15)16-12-22-18(23-16)17-6-3-11-24(17)19(25)13-7-9-21-10-8-13/h1-2,4-5,7-10,12,17H,3,6,11H2,(H,22,23).
What are the key properties of [2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 336.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 56794518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).