(6S)-6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid

C13H10Cl2N2O3 — CID 171486639

IUPAC(6S)-6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid
SMILESO=C(O)c1cnc2n1C[C@H](c1c(O)ccc(Cl)c1Cl)C2
InChIInChI=1S/C13H10Cl2N2O3/c14-7-1-2-9(18)11(12(7)15)6-3-10-16-4-8(13(19)20)17(10)5-6/h1-2,4,6,18H,3,5H2,(H,19,20)/t6-/m1/s1
InChIKeyKVZIKDLOKHFOPP-ZCFIWIBFSA-N
MW313.14 g/mol
LogP2.93
Rot. Bonds2

About (6S)-6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid

(6S)-6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid (PubChem CID 171486639) has the molecular formula C13H10Cl2N2O3 and a molecular weight of 313.14 g/mol. Its IUPAC name is (6S)-6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid.

Molecular Properties

Compound Name(6S)-6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid
PubChem CID171486639
Molecular FormulaC13H10Cl2N2O3
Molecular Weight313.14 g/mol
Exact Mass312.01
IUPAC Name(6S)-6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid
SMILESO=C(O)c1cnc2n1C[C@H](c1c(O)ccc(Cl)c1Cl)C2
InChIInChI=1S/C13H10Cl2N2O3/c14-7-1-2-9(18)11(12(7)15)6-3-10-16-4-8(13(19)20)17(10)5-6/h1-2,4,6,18H,3,5H2,(H,19,20)/t6-/m1/s1
InChIKeyKVZIKDLOKHFOPP-ZCFIWIBFSA-N
XLogP2.93
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6S)-6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid?
The IUPAC name of (6S)-6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid (CID 171486639) is (6S)-6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid.
What is the SMILES notation for (6S)-6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid?
The canonical SMILES for (6S)-6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid is O=C(O)c1cnc2n1C[C@H](c1c(O)ccc(Cl)c1Cl)C2.
What is the InChIKey of (6S)-6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid?
The InChIKey is KVZIKDLOKHFOPP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3/c14-7-1-2-9(18)11(12(7)15)6-3-10-16-4-8(13(19)20)17(10)5-6/h1-2,4,6,18H,3,5H2,(H,19,20)/t6-/m1/s1.
What are the key properties of (6S)-6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid?
(6S)-6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid has a molecular weight of 313.14 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid is sourced from PubChem (CID 171486639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).