1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione

C21H30FN5O3 — CID 142360872

IUPAC1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
SMILESO=C1CN(CCCCCNNC2(c3ccc(F)c(OCC4CC4)c3)CNC2)C(=O)N1
InChIInChI=1S/C21H30FN5O3/c22-17-7-6-16(10-18(17)30-12-15-4-5-15)21(13-23-14-21)26-24-8-2-1-3-9-27-11-19(28)25-20(27)29/h6-7,10,15,23-24,26H,1-5,8-9,11-14H2,(H,25,28,29)
InChIKeySRNDYFRXVIKEFR-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.23
Rot. Bonds12

About 1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione

1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione (PubChem CID 142360872) has the molecular formula C21H30FN5O3 and a molecular weight of 419.50 g/mol. Its IUPAC name is 1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
PubChem CID142360872
Molecular FormulaC21H30FN5O3
Molecular Weight419.50 g/mol
Exact Mass419.23
IUPAC Name1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
SMILESO=C1CN(CCCCCNNC2(c3ccc(F)c(OCC4CC4)c3)CNC2)C(=O)N1
InChIInChI=1S/C21H30FN5O3/c22-17-7-6-16(10-18(17)30-12-15-4-5-15)21(13-23-14-21)26-24-8-2-1-3-9-27-11-19(28)25-20(27)29/h6-7,10,15,23-24,26H,1-5,8-9,11-14H2,(H,25,28,29)
InChIKeySRNDYFRXVIKEFR-UHFFFAOYSA-N
XLogP1.23
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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]cyclopropyl]amino]sulfanylpentyl]imidazolidine-2,4-dione
CID 145227574
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360249
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]butyl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360570
1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]pyrimidine-2,4-dione
CID 142399513
1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclobutyl]methylsulfonyl]pentyl]imidazolidine-2,4-dione
CID 149254670
4-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]hydrazinyl]butan-1-amine
CID 142360229
1-[7-[[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]amino]heptyl]imidazolidine-2,4-dione
CID 134553917
3-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3-[5-(2,4-dioxoimidazolidin-1-yl)pentylsulfinylamino]propanoic acid
CID 162531925
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]-1,3-diazinane-2,4-dione
CID 142399677
N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(oxetan-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 142360664
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-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione (CID 142360872) is 1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione is O=C1CN(CCCCCNNC2(c3ccc(F)c(OCC4CC4)c3)CNC2)C(=O)N1.
What is the InChIKey of 1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione?
The InChIKey is SRNDYFRXVIKEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN5O3/c22-17-7-6-16(10-18(17)30-12-15-4-5-15)21(13-23-14-21)26-24-8-2-1-3-9-27-11-19(28)25-20(27)29/h6-7,10,15,23-24,26H,1-5,8-9,11-14H2,(H,25,28,29).
What are the key properties of 1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione?
1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione has a molecular weight of 419.50 g/mol, XLogP of 1.23, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione is sourced from PubChem (CID 142360872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).