1-[2-(4-bromophenyl)-2-oxoethyl]-3-propylimidazol-2-one

C14H15BrN2O2 — CID 80581332

IUPAC1-[2-(4-bromophenyl)-2-oxoethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(=O)c2ccc(Br)cc2)c1=O
InChIInChI=1S/C14H15BrN2O2/c1-2-7-16-8-9-17(14(16)19)10-13(18)11-3-5-12(15)6-4-11/h3-6,8-9H,2,7,10H2,1H3
InChIKeyKZGSMHJEHDYPPF-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.71
Rot. Bonds5

About 1-[2-(4-bromophenyl)-2-oxoethyl]-3-propylimidazol-2-one

1-[2-(4-bromophenyl)-2-oxoethyl]-3-propylimidazol-2-one (PubChem CID 80581332) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)-2-oxoethyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)-2-oxoethyl]-3-propylimidazol-2-one
PubChem CID80581332
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name1-[2-(4-bromophenyl)-2-oxoethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(=O)c2ccc(Br)cc2)c1=O
InChIInChI=1S/C14H15BrN2O2/c1-2-7-16-8-9-17(14(16)19)10-13(18)11-3-5-12(15)6-4-11/h3-6,8-9H,2,7,10H2,1H3
InChIKeyKZGSMHJEHDYPPF-UHFFFAOYSA-N
XLogP2.71
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)-2-oxoethyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[2-(4-bromophenyl)-2-oxoethyl]-3-propylimidazol-2-one (CID 80581332) is 1-[2-(4-bromophenyl)-2-oxoethyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[2-(4-bromophenyl)-2-oxoethyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[2-(4-bromophenyl)-2-oxoethyl]-3-propylimidazol-2-one is CCCn1ccn(CC(=O)c2ccc(Br)cc2)c1=O.
What is the InChIKey of 1-[2-(4-bromophenyl)-2-oxoethyl]-3-propylimidazol-2-one?
The InChIKey is KZGSMHJEHDYPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-2-7-16-8-9-17(14(16)19)10-13(18)11-3-5-12(15)6-4-11/h3-6,8-9H,2,7,10H2,1H3.
What are the key properties of 1-[2-(4-bromophenyl)-2-oxoethyl]-3-propylimidazol-2-one?
1-[2-(4-bromophenyl)-2-oxoethyl]-3-propylimidazol-2-one has a molecular weight of 323.19 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)-2-oxoethyl]-3-propylimidazol-2-one is sourced from PubChem (CID 80581332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).