1-[5-[1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethylamino]sulfanylpentyl]imidazolidine-2,4-dione

C18H27FN4O3S — CID 162532038

IUPAC1-[5-[1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethylamino]sulfanylpentyl]imidazolidine-2,4-dione
SMILESCC(NSCCCCCN1CC(=O)NC1=O)c1cc(F)c(OCC2CC2)[nH]1
InChIInChI=1S/C18H27FN4O3S/c1-12(15-9-14(19)17(20-15)26-11-13-5-6-13)22-27-8-4-2-3-7-23-10-16(24)21-18(23)25/h9,12-13,20,22H,2-8,10-11H2,1H3,(H,21,24,25)
InChIKeyPFNATPPLJCQEHU-UHFFFAOYSA-N
MW398.50 g/mol
LogP2.96
Rot. Bonds12

About 1-[5-[1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethylamino]sulfanylpentyl]imidazolidine-2,4-dione

1-[5-[1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethylamino]sulfanylpentyl]imidazolidine-2,4-dione (PubChem CID 162532038) has the molecular formula C18H27FN4O3S and a molecular weight of 398.50 g/mol. Its IUPAC name is 1-[5-[1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethylamino]sulfanylpentyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[5-[1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethylamino]sulfanylpentyl]imidazolidine-2,4-dione
PubChem CID162532038
Molecular FormulaC18H27FN4O3S
Molecular Weight398.50 g/mol
Exact Mass398.18
IUPAC Name1-[5-[1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethylamino]sulfanylpentyl]imidazolidine-2,4-dione
SMILESCC(NSCCCCCN1CC(=O)NC1=O)c1cc(F)c(OCC2CC2)[nH]1
InChIInChI=1S/C18H27FN4O3S/c1-12(15-9-14(19)17(20-15)26-11-13-5-6-13)22-27-8-4-2-3-7-23-10-16(24)21-18(23)25/h9,12-13,20,22H,2-8,10-11H2,1H3,(H,21,24,25)
InChIKeyPFNATPPLJCQEHU-UHFFFAOYSA-N
XLogP2.96
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.96
H-Bond Donors ≤ 53
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-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethylamino]sulfanylpentyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethylamino]sulfanylpentyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[5-[1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethylamino]sulfanylpentyl]imidazolidine-2,4-dione (CID 162532038) is 1-[5-[1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethylamino]sulfanylpentyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[5-[1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethylamino]sulfanylpentyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[5-[1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethylamino]sulfanylpentyl]imidazolidine-2,4-dione is CC(NSCCCCCN1CC(=O)NC1=O)c1cc(F)c(OCC2CC2)[nH]1.
What is the InChIKey of 1-[5-[1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethylamino]sulfanylpentyl]imidazolidine-2,4-dione?
The InChIKey is PFNATPPLJCQEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4O3S/c1-12(15-9-14(19)17(20-15)26-11-13-5-6-13)22-27-8-4-2-3-7-23-10-16(24)21-18(23)25/h9,12-13,20,22H,2-8,10-11H2,1H3,(H,21,24,25).
What are the key properties of 1-[5-[1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethylamino]sulfanylpentyl]imidazolidine-2,4-dione?
1-[5-[1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethylamino]sulfanylpentyl]imidazolidine-2,4-dione has a molecular weight of 398.50 g/mol, XLogP of 2.96, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethylamino]sulfanylpentyl]imidazolidine-2,4-dione is sourced from PubChem (CID 162532038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).