4-(2-fluorophenyl)-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one

C14H18FN3O — CID 116979116

IUPAC4-(2-fluorophenyl)-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one
SMILESO=C1NC(c2ccccc2F)CN1CC1CCNC1
InChIInChI=1S/C14H18FN3O/c15-12-4-2-1-3-11(12)13-9-18(14(19)17-13)8-10-5-6-16-7-10/h1-4,10,13,16H,5-9H2,(H,17,19)
InChIKeyWDEGXXQTVRPSOI-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.50
Rot. Bonds3

About 4-(2-fluorophenyl)-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one

4-(2-fluorophenyl)-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one (PubChem CID 116979116) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one
PubChem CID116979116
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name4-(2-fluorophenyl)-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one
SMILESO=C1NC(c2ccccc2F)CN1CC1CCNC1
InChIInChI=1S/C14H18FN3O/c15-12-4-2-1-3-11(12)13-9-18(14(19)17-13)8-10-5-6-16-7-10/h1-4,10,13,16H,5-9H2,(H,17,19)
InChIKeyWDEGXXQTVRPSOI-UHFFFAOYSA-N
XLogP1.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromophenyl)-1-(piperidin-3-ylmethyl)imidazolidin-2-one
CID 116979173
4-(2-fluorophenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one
CID 116978623
1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
CID 116979163
4-pyridin-2-yl-1-(2-pyrrolidin-3-ylethyl)imidazolidin-2-one
CID 116980606
4-tert-butyl-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one
CID 116979101
2-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid
CID 116979592
1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951614
4-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazepin-5-one
CID 113422832
3-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid
CID 116979669
1-ethyl-4-(2-methylphenyl)imidazolidin-2-one
CID 116981049
(3S)-3-[(2-fluorophenoxy)methyl]pyrrolidine
CID 86316087
2-chloro-8-fluoro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one
CID 117264662

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one?
The IUPAC name of 4-(2-fluorophenyl)-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one (CID 116979116) is 4-(2-fluorophenyl)-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one.
What is the SMILES notation for 4-(2-fluorophenyl)-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one?
The canonical SMILES for 4-(2-fluorophenyl)-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one is O=C1NC(c2ccccc2F)CN1CC1CCNC1.
What is the InChIKey of 4-(2-fluorophenyl)-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one?
The InChIKey is WDEGXXQTVRPSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-12-4-2-1-3-11(12)13-9-18(14(19)17-13)8-10-5-6-16-7-10/h1-4,10,13,16H,5-9H2,(H,17,19).
What are the key properties of 4-(2-fluorophenyl)-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one?
4-(2-fluorophenyl)-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one has a molecular weight of 263.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one is sourced from PubChem (CID 116979116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).