1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one

C14H17BrN2O2 — CID 80582220

IUPAC1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2cc(OC)ccc2Br)c1=O
InChIInChI=1S/C14H17BrN2O2/c1-3-6-16-7-8-17(14(16)18)10-11-9-12(19-2)4-5-13(11)15/h4-5,7-9H,3,6,10H2,1-2H3
InChIKeyASDLJVQEGVYIIL-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.88
Rot. Bonds5

About 1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one

1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one (PubChem CID 80582220) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one
PubChem CID80582220
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2cc(OC)ccc2Br)c1=O
InChIInChI=1S/C14H17BrN2O2/c1-3-6-16-7-8-17(14(16)18)10-11-9-12(19-2)4-5-13(11)15/h4-5,7-9H,3,6,10H2,1-2H3
InChIKeyASDLJVQEGVYIIL-UHFFFAOYSA-N
XLogP2.88
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 65327229
5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one
CID 104505773
5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 65324092
1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one
CID 80581760
1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79180750
1-(2-bromo-5-methoxyphenyl)pentan-2-one
CID 65327573
4-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]indole
CID 116625976
1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole
CID 116622881
1-[(5-acetyl-2-methoxyphenyl)methyl]-3-propylimidazol-2-one
CID 80580041
5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1-ethyl-3-methylpyrimidine-2,4-dione
CID 12034241
1-[(2-bromo-5-methoxyphenyl)methyl]-5-propylazepan-2-one
CID 65326420
1-[(2-bromo-5-methoxyphenyl)methyl]-4-propylpyrrolidin-2-one
CID 104512444

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one (CID 80582220) is 1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one is CCCn1ccn(Cc2cc(OC)ccc2Br)c1=O.
What is the InChIKey of 1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one?
The InChIKey is ASDLJVQEGVYIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-3-6-16-7-8-17(14(16)18)10-11-9-12(19-2)4-5-13(11)15/h4-5,7-9H,3,6,10H2,1-2H3.
What are the key properties of 1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one?
1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one has a molecular weight of 325.21 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one is sourced from PubChem (CID 80582220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).