1-[2-[4-[1-(2-fluorophenyl)-5-nitroindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one

C24H24FN5O3 — CID 19753558

IUPAC1-[2-[4-[1-(2-fluorophenyl)-5-nitroindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CC=C(c2cn(-c3ccccc3F)c3ccc([N+](=O)[O-])cc23)CC1
InChIInChI=1S/C24H24FN5O3/c25-21-3-1-2-4-23(21)29-16-20(19-15-18(30(32)33)5-6-22(19)29)17-7-10-27(11-8-17)13-14-28-12-9-26-24(28)31/h1-7,15-16H,8-14H2,(H,26,31)
InChIKeyDVFBHANNQGYZKZ-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.79
Rot. Bonds6

About 1-[2-[4-[1-(2-fluorophenyl)-5-nitroindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one

1-[2-[4-[1-(2-fluorophenyl)-5-nitroindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 19753558) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is 1-[2-[4-[1-(2-fluorophenyl)-5-nitroindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[1-(2-fluorophenyl)-5-nitroindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
PubChem CID19753558
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name1-[2-[4-[1-(2-fluorophenyl)-5-nitroindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CC=C(c2cn(-c3ccccc3F)c3ccc([N+](=O)[O-])cc23)CC1
InChIInChI=1S/C24H24FN5O3/c25-21-3-1-2-4-23(21)29-16-20(19-15-18(30(32)33)5-6-22(19)29)17-7-10-27(11-8-17)13-14-28-12-9-26-24(28)31/h1-7,15-16H,8-14H2,(H,26,31)
InChIKeyDVFBHANNQGYZKZ-UHFFFAOYSA-N
XLogP3.79
TPSA83.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-3H-pyrazol-1-yl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
CID 18177244
1-[2-[4-[1-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
CID 57290100
1-[2-[4-[1-(4-fluorophenyl)-5-(2H-triazol-4-yl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
CID 11081194
methyl 4-[5-chloro-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]benzoate
CID 101339440
2-nitro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
CID 715060
1-(4-fluorophenyl)-3-[4-[4-nitro-2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol;hydrochloride
CID 86298988
1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitroindole;1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 158111666
3-(2-fluorophenyl)-1-methyl-5-nitroindole-2-carboxamide
CID 154386165
N-(3-nitrophenyl)-2-(2-oxoimidazolidin-1-yl)ethanesulfonamide
CID 57300931
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-(2-fluorophenyl)-6-nitroquinazolin-4-one
CID 46248309
2,5-dimethyl-8-nitro-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 82232102
1-[2-[8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]imidazolidin-2-one
CID 70260624

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(2-fluorophenyl)-5-nitroindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[1-(2-fluorophenyl)-5-nitroindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one (CID 19753558) is 1-[2-[4-[1-(2-fluorophenyl)-5-nitroindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[1-(2-fluorophenyl)-5-nitroindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[1-(2-fluorophenyl)-5-nitroindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCN1CC=C(c2cn(-c3ccccc3F)c3ccc([N+](=O)[O-])cc23)CC1.
What is the InChIKey of 1-[2-[4-[1-(2-fluorophenyl)-5-nitroindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is DVFBHANNQGYZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c25-21-3-1-2-4-23(21)29-16-20(19-15-18(30(32)33)5-6-22(19)29)17-7-10-27(11-8-17)13-14-28-12-9-26-24(28)31/h1-7,15-16H,8-14H2,(H,26,31).
What are the key properties of 1-[2-[4-[1-(2-fluorophenyl)-5-nitroindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[1-(2-fluorophenyl)-5-nitroindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 449.49 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(2-fluorophenyl)-5-nitroindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 19753558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).