1-[2-(2-bromophenyl)-2-oxoethyl]-3-cyclopropylimidazol-2-one

C14H13BrN2O2 — CID 80581514

IUPAC1-[2-(2-bromophenyl)-2-oxoethyl]-3-cyclopropylimidazol-2-one
SMILESO=C(Cn1ccn(C2CC2)c1=O)c1ccccc1Br
InChIInChI=1S/C14H13BrN2O2/c15-12-4-2-1-3-11(12)13(18)9-16-7-8-17(14(16)19)10-5-6-10/h1-4,7-8,10H,5-6,9H2
InChIKeyQBFZRHBPOVOXDS-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.63
Rot. Bonds4

About 1-[2-(2-bromophenyl)-2-oxoethyl]-3-cyclopropylimidazol-2-one

1-[2-(2-bromophenyl)-2-oxoethyl]-3-cyclopropylimidazol-2-one (PubChem CID 80581514) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)-2-oxoethyl]-3-cyclopropylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)-2-oxoethyl]-3-cyclopropylimidazol-2-one
PubChem CID80581514
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name1-[2-(2-bromophenyl)-2-oxoethyl]-3-cyclopropylimidazol-2-one
SMILESO=C(Cn1ccn(C2CC2)c1=O)c1ccccc1Br
InChIInChI=1S/C14H13BrN2O2/c15-12-4-2-1-3-11(12)13(18)9-16-7-8-17(14(16)19)10-5-6-10/h1-4,7-8,10H,5-6,9H2
InChIKeyQBFZRHBPOVOXDS-UHFFFAOYSA-N
XLogP2.63
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-[2-(2-methylphenyl)-2-oxoethyl]imidazol-2-one
CID 80581341
1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylimidazol-2-one
CID 80581218
1-[2-(2-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80581316
1-cyclopropyl-3-[2-(3-methylphenyl)-2-oxoethyl]imidazol-2-one
CID 80581515
1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
CID 62928036
1-cyclopropyl-3-(2-cyclopropyl-2-oxoethyl)imidazol-2-one
CID 80581537
3-[2-(2-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-one
CID 63312655
N-(3-bromophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide
CID 116625442
N-(2-aminophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide
CID 80579705
1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 60708838
1-[4-(4-bromophenyl)-4-oxobutyl]-3-cyclopropylimidazol-2-one
CID 80579906
1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63102277

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)-2-oxoethyl]-3-cyclopropylimidazol-2-one?
The IUPAC name of 1-[2-(2-bromophenyl)-2-oxoethyl]-3-cyclopropylimidazol-2-one (CID 80581514) is 1-[2-(2-bromophenyl)-2-oxoethyl]-3-cyclopropylimidazol-2-one.
What is the SMILES notation for 1-[2-(2-bromophenyl)-2-oxoethyl]-3-cyclopropylimidazol-2-one?
The canonical SMILES for 1-[2-(2-bromophenyl)-2-oxoethyl]-3-cyclopropylimidazol-2-one is O=C(Cn1ccn(C2CC2)c1=O)c1ccccc1Br.
What is the InChIKey of 1-[2-(2-bromophenyl)-2-oxoethyl]-3-cyclopropylimidazol-2-one?
The InChIKey is QBFZRHBPOVOXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-12-4-2-1-3-11(12)13(18)9-16-7-8-17(14(16)19)10-5-6-10/h1-4,7-8,10H,5-6,9H2.
What are the key properties of 1-[2-(2-bromophenyl)-2-oxoethyl]-3-cyclopropylimidazol-2-one?
1-[2-(2-bromophenyl)-2-oxoethyl]-3-cyclopropylimidazol-2-one has a molecular weight of 321.17 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)-2-oxoethyl]-3-cyclopropylimidazol-2-one is sourced from PubChem (CID 80581514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).