(2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanol

C17H13BrN2O — CID 82038439

IUPAC(2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanol
SMILESOC(C1=C(Br)Cn2c1nc1ccccc12)c1ccccc1
InChIInChI=1S/C17H13BrN2O/c18-12-10-20-14-9-5-4-8-13(14)19-17(20)15(12)16(21)11-6-2-1-3-7-11/h1-9,16,21H,10H2
InChIKeyJEYMFKDVNJEARW-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.89
Rot. Bonds2

About (2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanol

(2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanol (PubChem CID 82038439) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is (2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanol.

Molecular Properties

Compound Name(2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanol
PubChem CID82038439
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name(2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanol
SMILESOC(C1=C(Br)Cn2c1nc1ccccc12)c1ccccc1
InChIInChI=1S/C17H13BrN2O/c18-12-10-20-14-9-5-4-8-13(14)19-17(20)15(12)16(21)11-6-2-1-3-7-11/h1-9,16,21H,10H2
InChIKeyJEYMFKDVNJEARW-UHFFFAOYSA-N
XLogP3.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanol?
The IUPAC name of (2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanol (CID 82038439) is (2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanol.
What is the SMILES notation for (2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanol?
The canonical SMILES for (2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanol is OC(C1=C(Br)Cn2c1nc1ccccc12)c1ccccc1.
What is the InChIKey of (2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanol?
The InChIKey is JEYMFKDVNJEARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c18-12-10-20-14-9-5-4-8-13(14)19-17(20)15(12)16(21)11-6-2-1-3-7-11/h1-9,16,21H,10H2.
What are the key properties of (2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanol?
(2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanol has a molecular weight of 341.21 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanol is sourced from PubChem (CID 82038439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).