1-(3-fluorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one

C14H15FN4O — CID 10849907

IUPAC1-(3-fluorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
SMILESCc1[nH]cnc1CN1CCN(c2cccc(F)c2)C1=O
InChIInChI=1S/C14H15FN4O/c1-10-13(17-9-16-10)8-18-5-6-19(14(18)20)12-4-2-3-11(15)7-12/h2-4,7,9H,5-6,8H2,1H3,(H,16,17)
InChIKeyMYJSDCDCINEOGG-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.30
Rot. Bonds3

About 1-(3-fluorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one

1-(3-fluorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one (PubChem CID 10849907) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
PubChem CID10849907
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name1-(3-fluorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
SMILESCc1[nH]cnc1CN1CCN(c2cccc(F)c2)C1=O
InChIInChI=1S/C14H15FN4O/c1-10-13(17-9-16-10)8-18-5-6-19(14(18)20)12-4-2-3-11(15)7-12/h2-4,7,9H,5-6,8H2,1H3,(H,16,17)
InChIKeyMYJSDCDCINEOGG-UHFFFAOYSA-N
XLogP2.30
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 9840258
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylphenyl)imidazolidin-2-one
CID 10492280
1-(3-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10589625
1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10779428
N-(1H-imidazol-4-ylmethyl)aniline
CID 13178307
4-(2-(Phenylamino)ethyl)-1H-imidazole
CID 46222042
3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(3-fluorophenyl)propanamide
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1-(3-bromophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10806692
3-[3-[(5-methyl-1H-imidazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]benzonitrile
CID 10493076
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylimidazolidin-2-one
CID 10563032
1-[(1,5-Dimethylimidazol-4-yl)methyl]-3-phenylimidazolidin-2-one
CID 10612110
1-(2-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10613497

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one?
The IUPAC name of 1-(3-fluorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one (CID 10849907) is 1-(3-fluorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one is Cc1[nH]cnc1CN1CCN(c2cccc(F)c2)C1=O.
What is the InChIKey of 1-(3-fluorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one?
The InChIKey is MYJSDCDCINEOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-10-13(17-9-16-10)8-18-5-6-19(14(18)20)12-4-2-3-11(15)7-12/h2-4,7,9H,5-6,8H2,1H3,(H,16,17).
What are the key properties of 1-(3-fluorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one?
1-(3-fluorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one has a molecular weight of 274.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one is sourced from PubChem (CID 10849907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).