[1-(3-bromophenyl)benzimidazol-5-yl]methanol

C14H11BrN2O — CID 54564593

IUPAC[1-(3-bromophenyl)benzimidazol-5-yl]methanol
SMILESOCc1ccc2c(c1)ncn2-c1cccc(Br)c1
InChIInChI=1S/C14H11BrN2O/c15-11-2-1-3-12(7-11)17-9-16-13-6-10(8-18)4-5-14(13)17/h1-7,9,18H,8H2
InChIKeyZSXPXGBEVGADHL-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.28
Rot. Bonds2

About [1-(3-bromophenyl)benzimidazol-5-yl]methanol

[1-(3-bromophenyl)benzimidazol-5-yl]methanol (PubChem CID 54564593) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is [1-(3-bromophenyl)benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[1-(3-bromophenyl)benzimidazol-5-yl]methanol
PubChem CID54564593
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name[1-(3-bromophenyl)benzimidazol-5-yl]methanol
SMILESOCc1ccc2c(c1)ncn2-c1cccc(Br)c1
InChIInChI=1S/C14H11BrN2O/c15-11-2-1-3-12(7-11)17-9-16-13-6-10(8-18)4-5-14(13)17/h1-7,9,18H,8H2
InChIKeyZSXPXGBEVGADHL-UHFFFAOYSA-N
XLogP3.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)benzimidazol-5-yl]methanol?
The IUPAC name of [1-(3-bromophenyl)benzimidazol-5-yl]methanol (CID 54564593) is [1-(3-bromophenyl)benzimidazol-5-yl]methanol.
What is the SMILES notation for [1-(3-bromophenyl)benzimidazol-5-yl]methanol?
The canonical SMILES for [1-(3-bromophenyl)benzimidazol-5-yl]methanol is OCc1ccc2c(c1)ncn2-c1cccc(Br)c1.
What is the InChIKey of [1-(3-bromophenyl)benzimidazol-5-yl]methanol?
The InChIKey is ZSXPXGBEVGADHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-11-2-1-3-12(7-11)17-9-16-13-6-10(8-18)4-5-14(13)17/h1-7,9,18H,8H2.
What are the key properties of [1-(3-bromophenyl)benzimidazol-5-yl]methanol?
[1-(3-bromophenyl)benzimidazol-5-yl]methanol has a molecular weight of 303.16 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)benzimidazol-5-yl]methanol is sourced from PubChem (CID 54564593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).