1-[4-fluoro-3-(1-nitrosoethyl)phenyl]-3-(4-methyl-3-pyridinyl)imidazolidin-2-one

C17H17FN4O2 — CID 91036309

IUPAC1-[4-fluoro-3-(1-nitrosoethyl)phenyl]-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
SMILESCc1ccncc1N1CCN(c2ccc(F)c(C(C)N=O)c2)C1=O
InChIInChI=1S/C17H17FN4O2/c1-11-5-6-19-10-16(11)22-8-7-21(17(22)23)13-3-4-15(18)14(9-13)12(2)20-24/h3-6,9-10,12H,7-8H2,1-2H3
InChIKeyWEBCKMMFIABOKP-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.80
Rot. Bonds4

About 1-[4-fluoro-3-(1-nitrosoethyl)phenyl]-3-(4-methyl-3-pyridinyl)imidazolidin-2-one

1-[4-fluoro-3-(1-nitrosoethyl)phenyl]-3-(4-methyl-3-pyridinyl)imidazolidin-2-one (PubChem CID 91036309) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 1-[4-fluoro-3-(1-nitrosoethyl)phenyl]-3-(4-methyl-3-pyridinyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-fluoro-3-(1-nitrosoethyl)phenyl]-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
PubChem CID91036309
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name1-[4-fluoro-3-(1-nitrosoethyl)phenyl]-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
SMILESCc1ccncc1N1CCN(c2ccc(F)c(C(C)N=O)c2)C1=O
InChIInChI=1S/C17H17FN4O2/c1-11-5-6-19-10-16(11)22-8-7-21(17(22)23)13-3-4-15(18)14(9-13)12(2)20-24/h3-6,9-10,12H,7-8H2,1-2H3
InChIKeyWEBCKMMFIABOKP-UHFFFAOYSA-N
XLogP3.80
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-acetyl-4-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
CID 68784575
1-[4-fluoro-3-(hydroxyiminomethyl)phenyl]-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
CID 86649399
2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzaldehyde
CID 59636164
1-(3-fluoro-4-phenylphenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
CID 174676000
1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylimidazolidin-2-one
CID 163559526
1-(1-methylbenzimidazol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
CID 59636202
1-(4-methyl-3-pyridinyl)-3-(4-phenylphenyl)imidazolidin-2-one
CID 59636241
4-methyl-6-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-1H-quinolin-2-one
CID 59636149
methyl 4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate
CID 68789034
5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-2,3-dihydro-1H-indazole-3-carbaldehyde
CID 174664200
1-(4-cyclopropyl-3-pyridinyl)-3-(2-fluoro-3-methyl-1-benzothiophen-5-yl)imidazolidin-2-one
CID 66576728
tert-butyl formate;1-(1H-indol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
CID 174664190

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(1-nitrosoethyl)phenyl]-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
The IUPAC name of 1-[4-fluoro-3-(1-nitrosoethyl)phenyl]-3-(4-methyl-3-pyridinyl)imidazolidin-2-one (CID 91036309) is 1-[4-fluoro-3-(1-nitrosoethyl)phenyl]-3-(4-methyl-3-pyridinyl)imidazolidin-2-one.
What is the SMILES notation for 1-[4-fluoro-3-(1-nitrosoethyl)phenyl]-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
The canonical SMILES for 1-[4-fluoro-3-(1-nitrosoethyl)phenyl]-3-(4-methyl-3-pyridinyl)imidazolidin-2-one is Cc1ccncc1N1CCN(c2ccc(F)c(C(C)N=O)c2)C1=O.
What is the InChIKey of 1-[4-fluoro-3-(1-nitrosoethyl)phenyl]-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
The InChIKey is WEBCKMMFIABOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-11-5-6-19-10-16(11)22-8-7-21(17(22)23)13-3-4-15(18)14(9-13)12(2)20-24/h3-6,9-10,12H,7-8H2,1-2H3.
What are the key properties of 1-[4-fluoro-3-(1-nitrosoethyl)phenyl]-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
1-[4-fluoro-3-(1-nitrosoethyl)phenyl]-3-(4-methyl-3-pyridinyl)imidazolidin-2-one has a molecular weight of 328.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(1-nitrosoethyl)phenyl]-3-(4-methyl-3-pyridinyl)imidazolidin-2-one is sourced from PubChem (CID 91036309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).