(2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-1-methylimidazolidin-4-one

C14H19BrN2O3 — CID 97313103

IUPAC(2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-1-methylimidazolidin-4-one
SMILESCCCOc1c(Br)cc([C@H]2NC(=O)CN2C)cc1OC
InChIInChI=1S/C14H19BrN2O3/c1-4-5-20-13-10(15)6-9(7-11(13)19-3)14-16-12(18)8-17(14)2/h6-7,14H,4-5,8H2,1-3H3,(H,16,18)/t14-/m0/s1
InChIKeyFIAULNDDFIQWPR-AWEZNQCLSA-N
MW343.22 g/mol
LogP2.31
Rot. Bonds5

About (2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-1-methylimidazolidin-4-one

(2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-1-methylimidazolidin-4-one (PubChem CID 97313103) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is (2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-1-methylimidazolidin-4-one.

Molecular Properties

Compound Name(2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-1-methylimidazolidin-4-one
PubChem CID97313103
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name(2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-1-methylimidazolidin-4-one
SMILESCCCOc1c(Br)cc([C@H]2NC(=O)CN2C)cc1OC
InChIInChI=1S/C14H19BrN2O3/c1-4-5-20-13-10(15)6-9(7-11(13)19-3)14-16-12(18)8-17(14)2/h6-7,14H,4-5,8H2,1-3H3,(H,16,18)/t14-/m0/s1
InChIKeyFIAULNDDFIQWPR-AWEZNQCLSA-N
XLogP2.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-1-methylimidazolidin-4-one?
The IUPAC name of (2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-1-methylimidazolidin-4-one (CID 97313103) is (2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-1-methylimidazolidin-4-one.
What is the SMILES notation for (2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-1-methylimidazolidin-4-one?
The canonical SMILES for (2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-1-methylimidazolidin-4-one is CCCOc1c(Br)cc([C@H]2NC(=O)CN2C)cc1OC.
What is the InChIKey of (2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-1-methylimidazolidin-4-one?
The InChIKey is FIAULNDDFIQWPR-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-4-5-20-13-10(15)6-9(7-11(13)19-3)14-16-12(18)8-17(14)2/h6-7,14H,4-5,8H2,1-3H3,(H,16,18)/t14-/m0/s1.
What are the key properties of (2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-1-methylimidazolidin-4-one?
(2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-1-methylimidazolidin-4-one has a molecular weight of 343.22 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-1-methylimidazolidin-4-one is sourced from PubChem (CID 97313103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).