3-benzyl-1-(5-bromo-1-benzofuran-2-carbonyl)imidazolidin-4-one

C19H15BrN2O3 — CID 167869886

IUPAC3-benzyl-1-(5-bromo-1-benzofuran-2-carbonyl)imidazolidin-4-one
SMILESO=C1CN(C(=O)c2cc3cc(Br)ccc3o2)CN1Cc1ccccc1
InChIInChI=1S/C19H15BrN2O3/c20-15-6-7-16-14(8-15)9-17(25-16)19(24)22-11-18(23)21(12-22)10-13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyVYZBPLDWIGYQEX-UHFFFAOYSA-N
MW399.24 g/mol
LogP3.64
Rot. Bonds3

About 3-benzyl-1-(5-bromo-1-benzofuran-2-carbonyl)imidazolidin-4-one

3-benzyl-1-(5-bromo-1-benzofuran-2-carbonyl)imidazolidin-4-one (PubChem CID 167869886) has the molecular formula C19H15BrN2O3 and a molecular weight of 399.24 g/mol. Its IUPAC name is 3-benzyl-1-(5-bromo-1-benzofuran-2-carbonyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-1-(5-bromo-1-benzofuran-2-carbonyl)imidazolidin-4-one
PubChem CID167869886
Molecular FormulaC19H15BrN2O3
Molecular Weight399.24 g/mol
Exact Mass398.03
IUPAC Name3-benzyl-1-(5-bromo-1-benzofuran-2-carbonyl)imidazolidin-4-one
SMILESO=C1CN(C(=O)c2cc3cc(Br)ccc3o2)CN1Cc1ccccc1
InChIInChI=1S/C19H15BrN2O3/c20-15-6-7-16-14(8-15)9-17(25-16)19(24)22-11-18(23)21(12-22)10-13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyVYZBPLDWIGYQEX-UHFFFAOYSA-N
XLogP3.64
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.24
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(5-bromo-1-benzofuran-2-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 78865868
3-benzyl-1-(3-bromo-2-methylbenzoyl)imidazolidin-4-one
CID 154835043
(5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 97014745
SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE
CID 126957561
N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-5-bromo-1-benzofuran-2-carboxamide
CID 162651325
(5-bromo-1-benzofuran-2-yl)-(1,4-diazepan-1-yl)methanone
CID 119414241
(5-bromo-1-benzofuran-2-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 46438689
(5-bromo-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 52877254
2-[4-(5-bromo-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 119247587
(5-bromo-1-benzofuran-2-yl)-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 1270253
(5-bromo-1-benzofuran-2-yl)-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 46480683
1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile
CID 49062183

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(5-bromo-1-benzofuran-2-carbonyl)imidazolidin-4-one?
The IUPAC name of 3-benzyl-1-(5-bromo-1-benzofuran-2-carbonyl)imidazolidin-4-one (CID 167869886) is 3-benzyl-1-(5-bromo-1-benzofuran-2-carbonyl)imidazolidin-4-one.
What is the SMILES notation for 3-benzyl-1-(5-bromo-1-benzofuran-2-carbonyl)imidazolidin-4-one?
The canonical SMILES for 3-benzyl-1-(5-bromo-1-benzofuran-2-carbonyl)imidazolidin-4-one is O=C1CN(C(=O)c2cc3cc(Br)ccc3o2)CN1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1-(5-bromo-1-benzofuran-2-carbonyl)imidazolidin-4-one?
The InChIKey is VYZBPLDWIGYQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O3/c20-15-6-7-16-14(8-15)9-17(25-16)19(24)22-11-18(23)21(12-22)10-13-4-2-1-3-5-13/h1-9H,10-12H2.
What are the key properties of 3-benzyl-1-(5-bromo-1-benzofuran-2-carbonyl)imidazolidin-4-one?
3-benzyl-1-(5-bromo-1-benzofuran-2-carbonyl)imidazolidin-4-one has a molecular weight of 399.24 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(5-bromo-1-benzofuran-2-carbonyl)imidazolidin-4-one is sourced from PubChem (CID 167869886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).