4,6-dichloro-3-[(2-oxo-3-phenylimidazolidin-1-yl)methyl]-1H-indole-2-carboxylic acid

C19H15Cl2N3O3 — CID 11079958

IUPAC4,6-dichloro-3-[(2-oxo-3-phenylimidazolidin-1-yl)methyl]-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1CN1CCN(c2ccccc2)C1=O
InChIInChI=1S/C19H15Cl2N3O3/c20-11-8-14(21)16-13(17(18(25)26)22-15(16)9-11)10-23-6-7-24(19(23)27)12-4-2-1-3-5-12/h1-5,8-9,22H,6-7,10H2,(H,25,26)
InChIKeyAAUBLVWQSXZMKT-UHFFFAOYSA-N
MW404.25 g/mol
LogP4.62
Rot. Bonds4

About 4,6-dichloro-3-[(2-oxo-3-phenylimidazolidin-1-yl)methyl]-1H-indole-2-carboxylic acid

4,6-dichloro-3-[(2-oxo-3-phenylimidazolidin-1-yl)methyl]-1H-indole-2-carboxylic acid (PubChem CID 11079958) has the molecular formula C19H15Cl2N3O3 and a molecular weight of 404.25 g/mol. Its IUPAC name is 4,6-dichloro-3-[(2-oxo-3-phenylimidazolidin-1-yl)methyl]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4,6-dichloro-3-[(2-oxo-3-phenylimidazolidin-1-yl)methyl]-1H-indole-2-carboxylic acid
PubChem CID11079958
Molecular FormulaC19H15Cl2N3O3
Molecular Weight404.25 g/mol
Exact Mass403.05
IUPAC Name4,6-dichloro-3-[(2-oxo-3-phenylimidazolidin-1-yl)methyl]-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1CN1CCN(c2ccccc2)C1=O
InChIInChI=1S/C19H15Cl2N3O3/c20-11-8-14(21)16-13(17(18(25)26)22-15(16)9-11)10-23-6-7-24(19(23)27)12-4-2-1-3-5-12/h1-5,8-9,22H,6-7,10H2,(H,25,26)
InChIKeyAAUBLVWQSXZMKT-UHFFFAOYSA-N
XLogP4.62
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-[(2-oxo-3-phenylimidazolidin-1-yl)methyl]-1H-indole-2-carboxylic acid?
The IUPAC name of 4,6-dichloro-3-[(2-oxo-3-phenylimidazolidin-1-yl)methyl]-1H-indole-2-carboxylic acid (CID 11079958) is 4,6-dichloro-3-[(2-oxo-3-phenylimidazolidin-1-yl)methyl]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4,6-dichloro-3-[(2-oxo-3-phenylimidazolidin-1-yl)methyl]-1H-indole-2-carboxylic acid?
The canonical SMILES for 4,6-dichloro-3-[(2-oxo-3-phenylimidazolidin-1-yl)methyl]-1H-indole-2-carboxylic acid is O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1CN1CCN(c2ccccc2)C1=O.
What is the InChIKey of 4,6-dichloro-3-[(2-oxo-3-phenylimidazolidin-1-yl)methyl]-1H-indole-2-carboxylic acid?
The InChIKey is AAUBLVWQSXZMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3/c20-11-8-14(21)16-13(17(18(25)26)22-15(16)9-11)10-23-6-7-24(19(23)27)12-4-2-1-3-5-12/h1-5,8-9,22H,6-7,10H2,(H,25,26).
What are the key properties of 4,6-dichloro-3-[(2-oxo-3-phenylimidazolidin-1-yl)methyl]-1H-indole-2-carboxylic acid?
4,6-dichloro-3-[(2-oxo-3-phenylimidazolidin-1-yl)methyl]-1H-indole-2-carboxylic acid has a molecular weight of 404.25 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-[(2-oxo-3-phenylimidazolidin-1-yl)methyl]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 11079958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).