2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid

C15H16N4O2 — CID 61460804

IUPAC2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid
SMILESCCc1nc2cc(C(=O)O)ccc2n1CCn1cccn1
InChIInChI=1S/C15H16N4O2/c1-2-14-17-12-10-11(15(20)21)4-5-13(12)19(14)9-8-18-7-3-6-16-18/h3-7,10H,2,8-9H2,1H3,(H,20,21)
InChIKeyXBRZZMIXXIHIPR-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.19
Rot. Bonds5

About 2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid

2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid (PubChem CID 61460804) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid
PubChem CID61460804
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid
SMILESCCc1nc2cc(C(=O)O)ccc2n1CCn1cccn1
InChIInChI=1S/C15H16N4O2/c1-2-14-17-12-10-11(15(20)21)4-5-13(12)19(14)9-8-18-7-3-6-16-18/h3-7,10H,2,8-9H2,1H3,(H,20,21)
InChIKeyXBRZZMIXXIHIPR-UHFFFAOYSA-N
XLogP2.19
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 63295630
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CID 114101513
2-ethyl-1-(3-propoxypropyl)benzimidazole-5-carboxylic acid
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1-ethyl-2-(pyrimidin-2-ylsulfanylmethyl)benzimidazole-5-carboxylic acid
CID 2100918
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethylbenzimidazole-5-carboxylic acid
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2-ethyl-1-(4-hydroxy-2-methylbutyl)benzimidazole-5-carboxylic acid
CID 66107371
2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid
CID 82773344
2-ethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 63246728
2-ethyl-1-(oxan-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 63711769
2-ethyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 80723956
2-(hydroxymethyl)-1-(3-hydroxypropyl)benzimidazole-5-carboxylic acid
CID 46308423
2-(2-chloroethyl)-1-ethylbenzimidazole-5-carboxylic acid
CID 100586866

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid (CID 61460804) is 2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid is CCc1nc2cc(C(=O)O)ccc2n1CCn1cccn1.
What is the InChIKey of 2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid?
The InChIKey is XBRZZMIXXIHIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-2-14-17-12-10-11(15(20)21)4-5-13(12)19(14)9-8-18-7-3-6-16-18/h3-7,10H,2,8-9H2,1H3,(H,20,21).
What are the key properties of 2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid?
2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 61460804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).