(3aR)-3a-(1,3-dimethylpyrazol-4-yl)-2-hydroxy-4H-pyrrolo[1,2-a]benzimidazol-1-one

C15H14N4O2 — CID 51852282

IUPAC(3aR)-3a-(1,3-dimethylpyrazol-4-yl)-2-hydroxy-4H-pyrrolo[1,2-a]benzimidazol-1-one
SMILESCc1nn(C)cc1[C@@]12C=C(O)C(=O)N1c1ccccc1N2
InChIInChI=1S/C15H14N4O2/c1-9-10(8-18(2)17-9)15-7-13(20)14(21)19(15)12-6-4-3-5-11(12)16-15/h3-8,16,20H,1-2H3/t15-/m1/s1
InChIKeySWKZPXLOLMTVRN-OAHLLOKOSA-N
MW282.30 g/mol
LogP1.80
Rot. Bonds1

About (3aR)-3a-(1,3-dimethylpyrazol-4-yl)-2-hydroxy-4H-pyrrolo[1,2-a]benzimidazol-1-one

(3aR)-3a-(1,3-dimethylpyrazol-4-yl)-2-hydroxy-4H-pyrrolo[1,2-a]benzimidazol-1-one (PubChem CID 51852282) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is (3aR)-3a-(1,3-dimethylpyrazol-4-yl)-2-hydroxy-4H-pyrrolo[1,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(3aR)-3a-(1,3-dimethylpyrazol-4-yl)-2-hydroxy-4H-pyrrolo[1,2-a]benzimidazol-1-one
PubChem CID51852282
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name(3aR)-3a-(1,3-dimethylpyrazol-4-yl)-2-hydroxy-4H-pyrrolo[1,2-a]benzimidazol-1-one
SMILESCc1nn(C)cc1[C@@]12C=C(O)C(=O)N1c1ccccc1N2
InChIInChI=1S/C15H14N4O2/c1-9-10(8-18(2)17-9)15-7-13(20)14(21)19(15)12-6-4-3-5-11(12)16-15/h3-8,16,20H,1-2H3/t15-/m1/s1
InChIKeySWKZPXLOLMTVRN-OAHLLOKOSA-N
XLogP1.80
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 842662
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Frequently Asked Questions

What is the IUPAC name of (3aR)-3a-(1,3-dimethylpyrazol-4-yl)-2-hydroxy-4H-pyrrolo[1,2-a]benzimidazol-1-one?
The IUPAC name of (3aR)-3a-(1,3-dimethylpyrazol-4-yl)-2-hydroxy-4H-pyrrolo[1,2-a]benzimidazol-1-one (CID 51852282) is (3aR)-3a-(1,3-dimethylpyrazol-4-yl)-2-hydroxy-4H-pyrrolo[1,2-a]benzimidazol-1-one.
What is the SMILES notation for (3aR)-3a-(1,3-dimethylpyrazol-4-yl)-2-hydroxy-4H-pyrrolo[1,2-a]benzimidazol-1-one?
The canonical SMILES for (3aR)-3a-(1,3-dimethylpyrazol-4-yl)-2-hydroxy-4H-pyrrolo[1,2-a]benzimidazol-1-one is Cc1nn(C)cc1[C@@]12C=C(O)C(=O)N1c1ccccc1N2.
What is the InChIKey of (3aR)-3a-(1,3-dimethylpyrazol-4-yl)-2-hydroxy-4H-pyrrolo[1,2-a]benzimidazol-1-one?
The InChIKey is SWKZPXLOLMTVRN-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-9-10(8-18(2)17-9)15-7-13(20)14(21)19(15)12-6-4-3-5-11(12)16-15/h3-8,16,20H,1-2H3/t15-/m1/s1.
What are the key properties of (3aR)-3a-(1,3-dimethylpyrazol-4-yl)-2-hydroxy-4H-pyrrolo[1,2-a]benzimidazol-1-one?
(3aR)-3a-(1,3-dimethylpyrazol-4-yl)-2-hydroxy-4H-pyrrolo[1,2-a]benzimidazol-1-one has a molecular weight of 282.30 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-3a-(1,3-dimethylpyrazol-4-yl)-2-hydroxy-4H-pyrrolo[1,2-a]benzimidazol-1-one is sourced from PubChem (CID 51852282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).