2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol

C17H14BrN3O — CID 1068607

IUPAC2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol
SMILESOCCn1c(-c2ccc(Br)cc2)cn2c3ccccc3nc12
InChIInChI=1S/C17H14BrN3O/c18-13-7-5-12(6-8-13)16-11-21-15-4-2-1-3-14(15)19-17(21)20(16)9-10-22/h1-8,11,22H,9-10H2
InChIKeyIAOHAFMXKWYRRL-UHFFFAOYSA-N
MW356.22 g/mol
LogP3.71
Rot. Bonds3

About 2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol

2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol (PubChem CID 1068607) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol
PubChem CID1068607
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC Name2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol
SMILESOCCn1c(-c2ccc(Br)cc2)cn2c3ccccc3nc12
InChIInChI=1S/C17H14BrN3O/c18-13-7-5-12(6-8-13)16-11-21-15-4-2-1-3-14(15)19-17(21)20(16)9-10-22/h1-8,11,22H,9-10H2
InChIKeyIAOHAFMXKWYRRL-UHFFFAOYSA-N
XLogP3.71
TPSA42.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol?
The IUPAC name of 2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol (CID 1068607) is 2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol.
What is the SMILES notation for 2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol?
The canonical SMILES for 2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol is OCCn1c(-c2ccc(Br)cc2)cn2c3ccccc3nc12.
What is the InChIKey of 2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol?
The InChIKey is IAOHAFMXKWYRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O/c18-13-7-5-12(6-8-13)16-11-21-15-4-2-1-3-14(15)19-17(21)20(16)9-10-22/h1-8,11,22H,9-10H2.
What are the key properties of 2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol?
2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol has a molecular weight of 356.22 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol is sourced from PubChem (CID 1068607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).