(3S)-3-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole

C13H16N2 — CID 138979401

IUPAC(3S)-3-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
SMILESCC(C)[C@@H]1CCn2c1nc1ccccc12
InChIInChI=1S/C13H16N2/c1-9(2)10-7-8-15-12-6-4-3-5-11(12)14-13(10)15/h3-6,9-10H,7-8H2,1-2H3/t10-/m0/s1
InChIKeyZBDJYFXKKVSSCV-JTQLQIEISA-N
MW200.28 g/mol
LogP3.18
Rot. Bonds1

About (3S)-3-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole

(3S)-3-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole (PubChem CID 138979401) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3S)-3-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name(3S)-3-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
PubChem CID138979401
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name(3S)-3-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
SMILESCC(C)[C@@H]1CCn2c1nc1ccccc12
InChIInChI=1S/C13H16N2/c1-9(2)10-7-8-15-12-6-4-3-5-11(12)14-13(10)15/h3-6,9-10H,7-8H2,1-2H3/t10-/m0/s1
InChIKeyZBDJYFXKKVSSCV-JTQLQIEISA-N
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The IUPAC name of (3S)-3-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole (CID 138979401) is (3S)-3-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole.
What is the SMILES notation for (3S)-3-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The canonical SMILES for (3S)-3-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole is CC(C)[C@@H]1CCn2c1nc1ccccc12.
What is the InChIKey of (3S)-3-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The InChIKey is ZBDJYFXKKVSSCV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N2/c1-9(2)10-7-8-15-12-6-4-3-5-11(12)14-13(10)15/h3-6,9-10H,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-3-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
(3S)-3-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole has a molecular weight of 200.28 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole is sourced from PubChem (CID 138979401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).