1-[4-[2-(furan-2-yl)azepane-1-carbonyl]-2-methylphenyl]imidazolidin-2-one

C21H25N3O3 — CID 139002535

IUPAC1-[4-[2-(furan-2-yl)azepane-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
SMILESCc1cc(C(=O)N2CCCCCC2c2ccco2)ccc1N1CCNC1=O
InChIInChI=1S/C21H25N3O3/c1-15-14-16(8-9-17(15)24-12-10-22-21(24)26)20(25)23-11-4-2-3-6-18(23)19-7-5-13-27-19/h5,7-9,13-14,18H,2-4,6,10-12H2,1H3,(H,22,26)
InChIKeyWKIURNRBJBDUED-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.88
Rot. Bonds3

About 1-[4-[2-(furan-2-yl)azepane-1-carbonyl]-2-methylphenyl]imidazolidin-2-one

1-[4-[2-(furan-2-yl)azepane-1-carbonyl]-2-methylphenyl]imidazolidin-2-one (PubChem CID 139002535) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[4-[2-(furan-2-yl)azepane-1-carbonyl]-2-methylphenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-(furan-2-yl)azepane-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
PubChem CID139002535
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-[4-[2-(furan-2-yl)azepane-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
SMILESCc1cc(C(=O)N2CCCCCC2c2ccco2)ccc1N1CCNC1=O
InChIInChI=1S/C21H25N3O3/c1-15-14-16(8-9-17(15)24-12-10-22-21(24)26)20(25)23-11-4-2-3-6-18(23)19-7-5-13-27-19/h5,7-9,13-14,18H,2-4,6,10-12H2,1H3,(H,22,26)
InChIKeyWKIURNRBJBDUED-UHFFFAOYSA-N
XLogP3.88
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(furan-2-yl)azepan-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 70751382
5-[2-(furan-2-yl)azepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119136063
4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060
(2,3-dimethyl-1H-indol-5-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 72898684
[(2R)-2-(furan-2-yl)azepan-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone
CID 125177371
(4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone
CID 95352268
1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 97068187
(2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid
CID 97206305
5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one
CID 97210433
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
[(2R)-2-(furan-2-yl)azepan-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 125165574
3-methyl-N-(2-oxoazepan-3-yl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 71937894

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(furan-2-yl)azepane-1-carbonyl]-2-methylphenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[2-(furan-2-yl)azepane-1-carbonyl]-2-methylphenyl]imidazolidin-2-one (CID 139002535) is 1-[4-[2-(furan-2-yl)azepane-1-carbonyl]-2-methylphenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[2-(furan-2-yl)azepane-1-carbonyl]-2-methylphenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[2-(furan-2-yl)azepane-1-carbonyl]-2-methylphenyl]imidazolidin-2-one is Cc1cc(C(=O)N2CCCCCC2c2ccco2)ccc1N1CCNC1=O.
What is the InChIKey of 1-[4-[2-(furan-2-yl)azepane-1-carbonyl]-2-methylphenyl]imidazolidin-2-one?
The InChIKey is WKIURNRBJBDUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-14-16(8-9-17(15)24-12-10-22-21(24)26)20(25)23-11-4-2-3-6-18(23)19-7-5-13-27-19/h5,7-9,13-14,18H,2-4,6,10-12H2,1H3,(H,22,26).
What are the key properties of 1-[4-[2-(furan-2-yl)azepane-1-carbonyl]-2-methylphenyl]imidazolidin-2-one?
1-[4-[2-(furan-2-yl)azepane-1-carbonyl]-2-methylphenyl]imidazolidin-2-one has a molecular weight of 367.45 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(furan-2-yl)azepane-1-carbonyl]-2-methylphenyl]imidazolidin-2-one is sourced from PubChem (CID 139002535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).