1-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]imidazolidin-2-one;hydrochloride

C15H20ClFN4O2 — CID 119418180

IUPAC1-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]imidazolidin-2-one;hydrochloride
SMILESCl.O=C(c1cc(N2CCNC2=O)ccc1F)N1CCCNCC1
InChIInChI=1S/C15H19FN4O2.ClH/c16-13-3-2-11(20-9-6-18-15(20)22)10-12(13)14(21)19-7-1-4-17-5-8-19;/h2-3,10,17H,1,4-9H2,(H,18,22);1H
InChIKeyCHYIMXKAQFYXHL-UHFFFAOYSA-N
MW342.80 g/mol
LogP1.21
Rot. Bonds2

About 1-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]imidazolidin-2-one;hydrochloride

1-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]imidazolidin-2-one;hydrochloride (PubChem CID 119418180) has the molecular formula C15H20ClFN4O2 and a molecular weight of 342.80 g/mol. Its IUPAC name is 1-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]imidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]imidazolidin-2-one;hydrochloride
PubChem CID119418180
Molecular FormulaC15H20ClFN4O2
Molecular Weight342.80 g/mol
Exact Mass342.13
IUPAC Name1-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]imidazolidin-2-one;hydrochloride
SMILESCl.O=C(c1cc(N2CCNC2=O)ccc1F)N1CCCNCC1
InChIInChI=1S/C15H19FN4O2.ClH/c16-13-3-2-11(20-9-6-18-15(20)22)10-12(13)14(21)19-7-1-4-17-5-8-19;/h2-3,10,17H,1,4-9H2,(H,18,22);1H
InChIKeyCHYIMXKAQFYXHL-UHFFFAOYSA-N
XLogP1.21
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-4-methyl-1,4-diazepan-5-one
CID 136554095
1,4-diazepan-1-yl-[2-fluoro-5-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119418441
1-[4-fluoro-3-[4-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 136511592
1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 136516507
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428604
1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256811
1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 136526977
1-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride
CID 119634190
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
N-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]acetamide
CID 119414587
1,4-diazepan-1-yl-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone;hydrochloride
CID 119415115
(2-amino-5-fluorophenyl)-(1,4-diazepan-1-yl)methanone
CID 43535352

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]imidazolidin-2-one;hydrochloride?
The IUPAC name of 1-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]imidazolidin-2-one;hydrochloride (CID 119418180) is 1-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]imidazolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]imidazolidin-2-one;hydrochloride?
The canonical SMILES for 1-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]imidazolidin-2-one;hydrochloride is Cl.O=C(c1cc(N2CCNC2=O)ccc1F)N1CCCNCC1.
What is the InChIKey of 1-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]imidazolidin-2-one;hydrochloride?
The InChIKey is CHYIMXKAQFYXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2.ClH/c16-13-3-2-11(20-9-6-18-15(20)22)10-12(13)14(21)19-7-1-4-17-5-8-19;/h2-3,10,17H,1,4-9H2,(H,18,22);1H.
What are the key properties of 1-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]imidazolidin-2-one;hydrochloride?
1-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]imidazolidin-2-one;hydrochloride has a molecular weight of 342.80 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]imidazolidin-2-one;hydrochloride is sourced from PubChem (CID 119418180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).