1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidine-2,4-dione

C21H28FN3O3S — CID 145227574

IUPAC1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidine-2,4-dione
SMILESO=C1CN(CCCCCSNC2(c3ccc(F)c(OCC4CC4)c3)CC2)C(=O)N1
InChIInChI=1S/C21H28FN3O3S/c22-17-7-6-16(12-18(17)28-14-15-4-5-15)21(8-9-21)24-29-11-3-1-2-10-25-13-19(26)23-20(25)27/h6-7,12,15,24H,1-5,8-11,13-14H2,(H,23,26,27)
InChIKeyYTDBLIWQJFXPLW-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.56
Rot. Bonds12

About 1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidine-2,4-dione

1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidine-2,4-dione (PubChem CID 145227574) has the molecular formula C21H28FN3O3S and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidine-2,4-dione
PubChem CID145227574
Molecular FormulaC21H28FN3O3S
Molecular Weight421.54 g/mol
Exact Mass421.18
IUPAC Name1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidine-2,4-dione
SMILESO=C1CN(CCCCCSNC2(c3ccc(F)c(OCC4CC4)c3)CC2)C(=O)N1
InChIInChI=1S/C21H28FN3O3S/c22-17-7-6-16(12-18(17)28-14-15-4-5-15)21(8-9-21)24-29-11-3-1-2-10-25-13-19(26)23-20(25)27/h6-7,12,15,24H,1-5,8-11,13-14H2,(H,23,26,27)
InChIKeyYTDBLIWQJFXPLW-UHFFFAOYSA-N
XLogP3.56
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360872
1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360581
1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclobutyl]methylsulfonyl]pentyl]imidazolidine-2,4-dione
CID 149254670
1-[7-[[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]amino]heptyl]imidazolidine-2,4-dione
CID 134553917
1-[5-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidin-2-one
CID 162532127
1-[5-[1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethylamino]sulfanylpentyl]imidazolidine-2,4-dione
CID 162532038
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360249
1-[5-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethylamino]sulfanylpentyl]-4-iminoimidazolidin-2-one
CID 162532171
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]butyl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360570
N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(oxetan-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 142360664
3-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3-[5-(2,4-dioxoimidazolidin-1-yl)pentylsulfinylamino]propanoic acid
CID 162531925
N-[(R)-[3-(cyclopropylmethoxy)-4-fluorophenyl]-(1-methylazetidin-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370104

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidine-2,4-dione (CID 145227574) is 1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidine-2,4-dione is O=C1CN(CCCCCSNC2(c3ccc(F)c(OCC4CC4)c3)CC2)C(=O)N1.
What is the InChIKey of 1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidine-2,4-dione?
The InChIKey is YTDBLIWQJFXPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O3S/c22-17-7-6-16(12-18(17)28-14-15-4-5-15)21(8-9-21)24-29-11-3-1-2-10-25-13-19(26)23-20(25)27/h6-7,12,15,24H,1-5,8-11,13-14H2,(H,23,26,27).
What are the key properties of 1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidine-2,4-dione?
1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidine-2,4-dione has a molecular weight of 421.54 g/mol, XLogP of 3.56, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidine-2,4-dione is sourced from PubChem (CID 145227574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).