3-(1-pyrazol-1-ylpropan-2-yl)benzimidazole-5-carboxylic acid

C14H14N4O2 — CID 82791147

IUPAC3-(1-pyrazol-1-ylpropan-2-yl)benzimidazole-5-carboxylic acid
SMILESCC(Cn1cccn1)n1cnc2ccc(C(=O)O)cc21
InChIInChI=1S/C14H14N4O2/c1-10(8-17-6-2-5-16-17)18-9-15-12-4-3-11(14(19)20)7-13(12)18/h2-7,9-10H,8H2,1H3,(H,19,20)
InChIKeyRJVUAMZRDBJKMZ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.19
Rot. Bonds4

About 3-(1-pyrazol-1-ylpropan-2-yl)benzimidazole-5-carboxylic acid

3-(1-pyrazol-1-ylpropan-2-yl)benzimidazole-5-carboxylic acid (PubChem CID 82791147) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-(1-pyrazol-1-ylpropan-2-yl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-pyrazol-1-ylpropan-2-yl)benzimidazole-5-carboxylic acid
PubChem CID82791147
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-(1-pyrazol-1-ylpropan-2-yl)benzimidazole-5-carboxylic acid
SMILESCC(Cn1cccn1)n1cnc2ccc(C(=O)O)cc21
InChIInChI=1S/C14H14N4O2/c1-10(8-17-6-2-5-16-17)18-9-15-12-4-3-11(14(19)20)7-13(12)18/h2-7,9-10H,8H2,1H3,(H,19,20)
InChIKeyRJVUAMZRDBJKMZ-UHFFFAOYSA-N
XLogP2.19
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carboxylic acid
CID 82773676
3-(3-ethylpentan-2-yl)benzimidazole-5-carboxylic acid
CID 82791090
1-butan-2-ylbenzimidazole-5-carboxylic acid
CID 43566656
3-(1-hydroxy-3-methylbutan-2-yl)benzimidazole-5-carboxylic acid
CID 82790795
3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid
CID 82791387
3-[1-(furan-2-yl)ethyl]benzimidazole-5-carboxylic acid
CID 82790460
3-(3-methyl-2-propan-2-ylbutyl)benzimidazole-5-carboxylic acid
CID 102907252
3-(2-methyl-1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid
CID 82774459
4-chloro-1-(1-pyrazol-1-ylpropan-2-yl)pyrrole-2-carboxylic acid
CID 114604251
1-(6-methylheptan-2-yl)benzimidazole-5-carboxylic acid
CID 61472679
4-bromo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrole-2-carboxylic acid
CID 114604247
2-[1-(1-pyrazol-1-ylpropan-2-yl)imidazol-2-yl]sulfanylacetic acid
CID 54951396

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyrazol-1-ylpropan-2-yl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(1-pyrazol-1-ylpropan-2-yl)benzimidazole-5-carboxylic acid (CID 82791147) is 3-(1-pyrazol-1-ylpropan-2-yl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-pyrazol-1-ylpropan-2-yl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(1-pyrazol-1-ylpropan-2-yl)benzimidazole-5-carboxylic acid is CC(Cn1cccn1)n1cnc2ccc(C(=O)O)cc21.
What is the InChIKey of 3-(1-pyrazol-1-ylpropan-2-yl)benzimidazole-5-carboxylic acid?
The InChIKey is RJVUAMZRDBJKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-10(8-17-6-2-5-16-17)18-9-15-12-4-3-11(14(19)20)7-13(12)18/h2-7,9-10H,8H2,1H3,(H,19,20).
What are the key properties of 3-(1-pyrazol-1-ylpropan-2-yl)benzimidazole-5-carboxylic acid?
3-(1-pyrazol-1-ylpropan-2-yl)benzimidazole-5-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyrazol-1-ylpropan-2-yl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82791147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).