2-(3-bromophenyl)-1-(4-fluorobenzoyl)-3-hydroxyimidazolidine-4-carbaldehyde

C17H14BrFN2O3 — CID 174932152

IUPAC2-(3-bromophenyl)-1-(4-fluorobenzoyl)-3-hydroxyimidazolidine-4-carbaldehyde
SMILESO=CC1CN(C(=O)c2ccc(F)cc2)C(c2cccc(Br)c2)N1O
InChIInChI=1S/C17H14BrFN2O3/c18-13-3-1-2-12(8-13)16-20(9-15(10-22)21(16)24)17(23)11-4-6-14(19)7-5-11/h1-8,10,15-16,24H,9H2
InChIKeyVJMPZIJUSVWOIZ-UHFFFAOYSA-N
MW393.21 g/mol
LogP3.00
Rot. Bonds3

About 2-(3-bromophenyl)-1-(4-fluorobenzoyl)-3-hydroxyimidazolidine-4-carbaldehyde

2-(3-bromophenyl)-1-(4-fluorobenzoyl)-3-hydroxyimidazolidine-4-carbaldehyde (PubChem CID 174932152) has the molecular formula C17H14BrFN2O3 and a molecular weight of 393.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(4-fluorobenzoyl)-3-hydroxyimidazolidine-4-carbaldehyde.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(4-fluorobenzoyl)-3-hydroxyimidazolidine-4-carbaldehyde
PubChem CID174932152
Molecular FormulaC17H14BrFN2O3
Molecular Weight393.21 g/mol
Exact Mass392.02
IUPAC Name2-(3-bromophenyl)-1-(4-fluorobenzoyl)-3-hydroxyimidazolidine-4-carbaldehyde
SMILESO=CC1CN(C(=O)c2ccc(F)cc2)C(c2cccc(Br)c2)N1O
InChIInChI=1S/C17H14BrFN2O3/c18-13-3-1-2-12(8-13)16-20(9-15(10-22)21(16)24)17(23)11-4-6-14(19)7-5-11/h1-8,10,15-16,24H,9H2
InChIKeyVJMPZIJUSVWOIZ-UHFFFAOYSA-N
XLogP3.00
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.21
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)-1-(3-fluorobenzoyl)-3-hydroxyimidazolidine-4-carbaldehyde
CID 174931361
[2-(3-bromophenyl)pyrrolidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 55889204
[2-(bromomethyl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 74554951
(5S)-4-(3-bromobenzoyl)-7-fluoro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2050734
(3S,6R)-1-(4-fluorobenzoyl)-6-(3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 93328515
5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 60958795
[2-(bromomethyl)azepan-1-yl]-(4-fluorophenyl)methanone
CID 116639648
N-[1-(3-bromophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55577882
2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405721
(3-fluorophenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone
CID 110316313
4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428493
3-(3-bromophenyl)-4-[4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoyl]piperazin-2-one
CID 166346424

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(4-fluorobenzoyl)-3-hydroxyimidazolidine-4-carbaldehyde?
The IUPAC name of 2-(3-bromophenyl)-1-(4-fluorobenzoyl)-3-hydroxyimidazolidine-4-carbaldehyde (CID 174932152) is 2-(3-bromophenyl)-1-(4-fluorobenzoyl)-3-hydroxyimidazolidine-4-carbaldehyde.
What is the SMILES notation for 2-(3-bromophenyl)-1-(4-fluorobenzoyl)-3-hydroxyimidazolidine-4-carbaldehyde?
The canonical SMILES for 2-(3-bromophenyl)-1-(4-fluorobenzoyl)-3-hydroxyimidazolidine-4-carbaldehyde is O=CC1CN(C(=O)c2ccc(F)cc2)C(c2cccc(Br)c2)N1O.
What is the InChIKey of 2-(3-bromophenyl)-1-(4-fluorobenzoyl)-3-hydroxyimidazolidine-4-carbaldehyde?
The InChIKey is VJMPZIJUSVWOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O3/c18-13-3-1-2-12(8-13)16-20(9-15(10-22)21(16)24)17(23)11-4-6-14(19)7-5-11/h1-8,10,15-16,24H,9H2.
What are the key properties of 2-(3-bromophenyl)-1-(4-fluorobenzoyl)-3-hydroxyimidazolidine-4-carbaldehyde?
2-(3-bromophenyl)-1-(4-fluorobenzoyl)-3-hydroxyimidazolidine-4-carbaldehyde has a molecular weight of 393.21 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(4-fluorobenzoyl)-3-hydroxyimidazolidine-4-carbaldehyde is sourced from PubChem (CID 174932152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).