3-(2-pyridin-3-ylethyl)benzimidazole-4-carboxylic acid

C15H13N3O2 — CID 115932984

IUPAC3-(2-pyridin-3-ylethyl)benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2ncn(CCc3cccnc3)c12
InChIInChI=1S/C15H13N3O2/c19-15(20)12-4-1-5-13-14(12)18(10-17-13)8-6-11-3-2-7-16-9-11/h1-5,7,9-10H,6,8H2,(H,19,20)
InChIKeyOBWIDJGZCFZNSA-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.37
Rot. Bonds4

About 3-(2-pyridin-3-ylethyl)benzimidazole-4-carboxylic acid

3-(2-pyridin-3-ylethyl)benzimidazole-4-carboxylic acid (PubChem CID 115932984) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-(2-pyridin-3-ylethyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-pyridin-3-ylethyl)benzimidazole-4-carboxylic acid
PubChem CID115932984
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-(2-pyridin-3-ylethyl)benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2ncn(CCc3cccnc3)c12
InChIInChI=1S/C15H13N3O2/c19-15(20)12-4-1-5-13-14(12)18(10-17-13)8-6-11-3-2-7-16-9-11/h1-5,7,9-10H,6,8H2,(H,19,20)
InChIKeyOBWIDJGZCFZNSA-UHFFFAOYSA-N
XLogP2.37
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzylbenzimidazole-4-carboxylic acid
CID 83413316
3-propylbenzimidazole-4-carboxylic acid
CID 82647147
3-(4-imidazol-1-ylbutyl)benzimidazole-4-carboxylic acid
CID 115933215
3-(3-amino-3-oxopropyl)benzimidazole-4-carboxylic acid
CID 112577165
3-(6-hydroxyhexyl)benzimidazole-4-carboxylic acid
CID 114008925
3-(3-methylbutyl)benzimidazole-4-carboxylic acid
CID 112577077
3-[3-(methylamino)-3-oxopropyl]benzimidazole-4-carboxylic acid
CID 112577230
3-[(4-chlorophenyl)methyl]benzimidazole-4-carboxylic acid
CID 115932612
3-[(3-bromophenyl)methyl]benzimidazole-4-carboxylic acid
CID 115933018
3-[2-(methylsulfamoyl)ethyl]benzimidazole-4-carboxylic acid
CID 106339628
1-(2-pyridin-3-ylethyl)imidazole-4-carboxylic acid
CID 106717074
3-[(1-methylpyrazol-3-yl)methyl]benzimidazole-4-carboxylic acid
CID 112577417

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-3-ylethyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 3-(2-pyridin-3-ylethyl)benzimidazole-4-carboxylic acid (CID 115932984) is 3-(2-pyridin-3-ylethyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(2-pyridin-3-ylethyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 3-(2-pyridin-3-ylethyl)benzimidazole-4-carboxylic acid is O=C(O)c1cccc2ncn(CCc3cccnc3)c12.
What is the InChIKey of 3-(2-pyridin-3-ylethyl)benzimidazole-4-carboxylic acid?
The InChIKey is OBWIDJGZCFZNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-15(20)12-4-1-5-13-14(12)18(10-17-13)8-6-11-3-2-7-16-9-11/h1-5,7,9-10H,6,8H2,(H,19,20).
What are the key properties of 3-(2-pyridin-3-ylethyl)benzimidazole-4-carboxylic acid?
3-(2-pyridin-3-ylethyl)benzimidazole-4-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-3-ylethyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115932984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).