(6S)-6-(2-pyridin-3-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C17H15N3 — CID 44574078

IUPAC(6S)-6-(2-pyridin-3-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1cncc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1
InChIInChI=1S/C17H15N3/c1-2-6-16(14-10-17-19-8-9-20(17)12-14)15(5-1)13-4-3-7-18-11-13/h1-9,11,14H,10,12H2/t14-/m1/s1
InChIKeyJVQZWPGHLBOWKN-CQSZACIVSA-N
MW261.33 g/mol
LogP3.29
Rot. Bonds2

About (6S)-6-(2-pyridin-3-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

(6S)-6-(2-pyridin-3-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 44574078) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is (6S)-6-(2-pyridin-3-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name(6S)-6-(2-pyridin-3-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID44574078
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name(6S)-6-(2-pyridin-3-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1cncc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1
InChIInChI=1S/C17H15N3/c1-2-6-16(14-10-17-19-8-9-20(17)12-14)15(5-1)13-4-3-7-18-11-13/h1-9,11,14H,10,12H2/t14-/m1/s1
InChIKeyJVQZWPGHLBOWKN-CQSZACIVSA-N
XLogP3.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2-pyridin-3-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of (6S)-6-(2-pyridin-3-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 44574078) is (6S)-6-(2-pyridin-3-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for (6S)-6-(2-pyridin-3-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for (6S)-6-(2-pyridin-3-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is c1cncc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1.
What is the InChIKey of (6S)-6-(2-pyridin-3-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is JVQZWPGHLBOWKN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H15N3/c1-2-6-16(14-10-17-19-8-9-20(17)12-14)15(5-1)13-4-3-7-18-11-13/h1-9,11,14H,10,12H2/t14-/m1/s1.
What are the key properties of (6S)-6-(2-pyridin-3-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
(6S)-6-(2-pyridin-3-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 261.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2-pyridin-3-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 44574078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).