3-(2-methyl-4-pyridinyl)-2-(4-methylsulfanylphenyl)-7,7a-dihydro-3H-pyrrolo[1,2-a]imidazol-7-ol

C19H19N3OS — CID 54451475

IUPAC3-(2-methyl-4-pyridinyl)-2-(4-methylsulfanylphenyl)-7,7a-dihydro-3H-pyrrolo[1,2-a]imidazol-7-ol
SMILESCSc1ccc(C2=NC3C(O)C=CN3C2c2ccnc(C)c2)cc1
InChIInChI=1S/C19H19N3OS/c1-12-11-14(7-9-20-12)18-17(13-3-5-15(24-2)6-4-13)21-19-16(23)8-10-22(18)19/h3-11,16,18-19,23H,1-2H3
InChIKeyWVHBYAOTOCJCDE-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.17
Rot. Bonds3

About 3-(2-methyl-4-pyridinyl)-2-(4-methylsulfanylphenyl)-7,7a-dihydro-3H-pyrrolo[1,2-a]imidazol-7-ol

3-(2-methyl-4-pyridinyl)-2-(4-methylsulfanylphenyl)-7,7a-dihydro-3H-pyrrolo[1,2-a]imidazol-7-ol (PubChem CID 54451475) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 3-(2-methyl-4-pyridinyl)-2-(4-methylsulfanylphenyl)-7,7a-dihydro-3H-pyrrolo[1,2-a]imidazol-7-ol.

Molecular Properties

Compound Name3-(2-methyl-4-pyridinyl)-2-(4-methylsulfanylphenyl)-7,7a-dihydro-3H-pyrrolo[1,2-a]imidazol-7-ol
PubChem CID54451475
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name3-(2-methyl-4-pyridinyl)-2-(4-methylsulfanylphenyl)-7,7a-dihydro-3H-pyrrolo[1,2-a]imidazol-7-ol
SMILESCSc1ccc(C2=NC3C(O)C=CN3C2c2ccnc(C)c2)cc1
InChIInChI=1S/C19H19N3OS/c1-12-11-14(7-9-20-12)18-17(13-3-5-15(24-2)6-4-13)21-19-16(23)8-10-22(18)19/h3-11,16,18-19,23H,1-2H3
InChIKeyWVHBYAOTOCJCDE-UHFFFAOYSA-N
XLogP3.17
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-pyridinyl)-2-(4-methylsulfanylphenyl)-7,7a-dihydro-3H-pyrrolo[1,2-a]imidazol-7-ol?
The IUPAC name of 3-(2-methyl-4-pyridinyl)-2-(4-methylsulfanylphenyl)-7,7a-dihydro-3H-pyrrolo[1,2-a]imidazol-7-ol (CID 54451475) is 3-(2-methyl-4-pyridinyl)-2-(4-methylsulfanylphenyl)-7,7a-dihydro-3H-pyrrolo[1,2-a]imidazol-7-ol.
What is the SMILES notation for 3-(2-methyl-4-pyridinyl)-2-(4-methylsulfanylphenyl)-7,7a-dihydro-3H-pyrrolo[1,2-a]imidazol-7-ol?
The canonical SMILES for 3-(2-methyl-4-pyridinyl)-2-(4-methylsulfanylphenyl)-7,7a-dihydro-3H-pyrrolo[1,2-a]imidazol-7-ol is CSc1ccc(C2=NC3C(O)C=CN3C2c2ccnc(C)c2)cc1.
What is the InChIKey of 3-(2-methyl-4-pyridinyl)-2-(4-methylsulfanylphenyl)-7,7a-dihydro-3H-pyrrolo[1,2-a]imidazol-7-ol?
The InChIKey is WVHBYAOTOCJCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-12-11-14(7-9-20-12)18-17(13-3-5-15(24-2)6-4-13)21-19-16(23)8-10-22(18)19/h3-11,16,18-19,23H,1-2H3.
What are the key properties of 3-(2-methyl-4-pyridinyl)-2-(4-methylsulfanylphenyl)-7,7a-dihydro-3H-pyrrolo[1,2-a]imidazol-7-ol?
3-(2-methyl-4-pyridinyl)-2-(4-methylsulfanylphenyl)-7,7a-dihydro-3H-pyrrolo[1,2-a]imidazol-7-ol has a molecular weight of 337.45 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-pyridinyl)-2-(4-methylsulfanylphenyl)-7,7a-dihydro-3H-pyrrolo[1,2-a]imidazol-7-ol is sourced from PubChem (CID 54451475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).