3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic acid

C16H15N3O2 — CID 63107308

IUPAC3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCCc1nc2ccccc2n1Cc1cccnc1C(=O)O
InChIInChI=1S/C16H15N3O2/c1-2-14-18-12-7-3-4-8-13(12)19(14)10-11-6-5-9-17-15(11)16(20)21/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyJREKLCCJBKFGJV-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.74
Rot. Bonds4

About 3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic acid

3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 63107308) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID63107308
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCCc1nc2ccccc2n1Cc1cccnc1C(=O)O
InChIInChI=1S/C16H15N3O2/c1-2-14-18-12-7-3-4-8-13(12)19(14)10-11-6-5-9-17-15(11)16(20)21/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyJREKLCCJBKFGJV-UHFFFAOYSA-N
XLogP2.74
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-ethylbenzimidazol-1-yl)methyl]benzamide
CID 116622514
2-(chloromethyl)-1-[(3-ethyl-2-pyridinyl)methyl]benzimidazole
CID 82742020
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
4-[(2-ethylbenzimidazol-1-yl)methyl]pyrimidine-5-carboxylic acid
CID 102973965
1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole
CID 116627019
2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
CID 116626997
2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
CID 79753775
1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole
CID 962442
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
2-ethoxy-3-(2-ethylbenzimidazol-1-yl)propanoic acid
CID 63107309
3-[(2-propylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 115578490
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic acid (CID 63107308) is 3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic acid is CCc1nc2ccccc2n1Cc1cccnc1C(=O)O.
What is the InChIKey of 3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is JREKLCCJBKFGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-14-18-12-7-3-4-8-13(12)19(14)10-11-6-5-9-17-15(11)16(20)21/h3-9H,2,10H2,1H3,(H,20,21).
What are the key properties of 3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic acid?
3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63107308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).