(6S)-6-(2-pyrimidin-5-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C16H14N4 — CID 44574074

IUPAC(6S)-6-(2-pyrimidin-5-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1ccc([C@@H]2Cc3nccn3C2)c(-c2cncnc2)c1
InChIInChI=1S/C16H14N4/c1-2-4-15(13-8-17-11-18-9-13)14(3-1)12-7-16-19-5-6-20(16)10-12/h1-6,8-9,11-12H,7,10H2/t12-/m1/s1
InChIKeyOUQNCXBFEAQBPY-GFCCVEGCSA-N
MW262.32 g/mol
LogP2.68
Rot. Bonds2

About (6S)-6-(2-pyrimidin-5-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

(6S)-6-(2-pyrimidin-5-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 44574074) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is (6S)-6-(2-pyrimidin-5-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name(6S)-6-(2-pyrimidin-5-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID44574074
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name(6S)-6-(2-pyrimidin-5-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1ccc([C@@H]2Cc3nccn3C2)c(-c2cncnc2)c1
InChIInChI=1S/C16H14N4/c1-2-4-15(13-8-17-11-18-9-13)14(3-1)12-7-16-19-5-6-20(16)10-12/h1-6,8-9,11-12H,7,10H2/t12-/m1/s1
InChIKeyOUQNCXBFEAQBPY-GFCCVEGCSA-N
XLogP2.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2-pyrimidin-5-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of (6S)-6-(2-pyrimidin-5-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 44574074) is (6S)-6-(2-pyrimidin-5-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for (6S)-6-(2-pyrimidin-5-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for (6S)-6-(2-pyrimidin-5-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is c1ccc([C@@H]2Cc3nccn3C2)c(-c2cncnc2)c1.
What is the InChIKey of (6S)-6-(2-pyrimidin-5-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is OUQNCXBFEAQBPY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H14N4/c1-2-4-15(13-8-17-11-18-9-13)14(3-1)12-7-16-19-5-6-20(16)10-12/h1-6,8-9,11-12H,7,10H2/t12-/m1/s1.
What are the key properties of (6S)-6-(2-pyrimidin-5-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
(6S)-6-(2-pyrimidin-5-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 262.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2-pyrimidin-5-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 44574074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).