2-methyl-3-(1-pyridin-2-ylethyl)benzimidazole-5-carboxylic acid

C16H15N3O2 — CID 82770584

IUPAC2-methyl-3-(1-pyridin-2-ylethyl)benzimidazole-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2n1C(C)c1ccccn1
InChIInChI=1S/C16H15N3O2/c1-10(13-5-3-4-8-17-13)19-11(2)18-14-7-6-12(16(20)21)9-15(14)19/h3-10H,1-2H3,(H,20,21)
InChIKeyRJYLETDKKSXQSO-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.05
Rot. Bonds3

About 2-methyl-3-(1-pyridin-2-ylethyl)benzimidazole-5-carboxylic acid

2-methyl-3-(1-pyridin-2-ylethyl)benzimidazole-5-carboxylic acid (PubChem CID 82770584) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-methyl-3-(1-pyridin-2-ylethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(1-pyridin-2-ylethyl)benzimidazole-5-carboxylic acid
PubChem CID82770584
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-methyl-3-(1-pyridin-2-ylethyl)benzimidazole-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2n1C(C)c1ccccn1
InChIInChI=1S/C16H15N3O2/c1-10(13-5-3-4-8-17-13)19-11(2)18-14-7-6-12(16(20)21)9-15(14)19/h3-10H,1-2H3,(H,20,21)
InChIKeyRJYLETDKKSXQSO-UHFFFAOYSA-N
XLogP3.05
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-pyridin-2-ylethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-methyl-3-(1-pyridin-2-ylethyl)benzimidazole-5-carboxylic acid (CID 82770584) is 2-methyl-3-(1-pyridin-2-ylethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(1-pyridin-2-ylethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-3-(1-pyridin-2-ylethyl)benzimidazole-5-carboxylic acid is Cc1nc2ccc(C(=O)O)cc2n1C(C)c1ccccn1.
What is the InChIKey of 2-methyl-3-(1-pyridin-2-ylethyl)benzimidazole-5-carboxylic acid?
The InChIKey is RJYLETDKKSXQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10(13-5-3-4-8-17-13)19-11(2)18-14-7-6-12(16(20)21)9-15(14)19/h3-10H,1-2H3,(H,20,21).
What are the key properties of 2-methyl-3-(1-pyridin-2-ylethyl)benzimidazole-5-carboxylic acid?
2-methyl-3-(1-pyridin-2-ylethyl)benzimidazole-5-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-pyridin-2-ylethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82770584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).