1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane

C16H15BrN2O2 — CID 143546276

IUPAC1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane
SMILESCC.O=C(O)c1ccc2c(c1)ncn2-c1cccc(Br)c1
InChIInChI=1S/C14H9BrN2O2.C2H6/c15-10-2-1-3-11(7-10)17-8-16-12-6-9(14(18)19)4-5-13(12)17;1-2/h1-8H,(H,18,19);1-2H3
InChIKeyOZFCXNDOMCDXHK-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.51
Rot. Bonds2

About 1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane

1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane (PubChem CID 143546276) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane.

Molecular Properties

Compound Name1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane
PubChem CID143546276
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane
SMILESCC.O=C(O)c1ccc2c(c1)ncn2-c1cccc(Br)c1
InChIInChI=1S/C14H9BrN2O2.C2H6/c15-10-2-1-3-11(7-10)17-8-16-12-6-9(14(18)19)4-5-13(12)17;1-2/h1-8H,(H,18,19);1-2H3
InChIKeyOZFCXNDOMCDXHK-UHFFFAOYSA-N
XLogP4.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane?
The IUPAC name of 1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane (CID 143546276) is 1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane.
What is the SMILES notation for 1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane?
The canonical SMILES for 1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane is CC.O=C(O)c1ccc2c(c1)ncn2-c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane?
The InChIKey is OZFCXNDOMCDXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2.C2H6/c15-10-2-1-3-11(7-10)17-8-16-12-6-9(14(18)19)4-5-13(12)17;1-2/h1-8H,(H,18,19);1-2H3.
What are the key properties of 1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane?
1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane has a molecular weight of 347.21 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane is sourced from PubChem (CID 143546276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).