2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid

C14H14N4O2 — CID 63892639

IUPAC2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid
SMILESCc1c(-c2nc3cc(C(=O)O)ccc3n2C)cnn1C
InChIInChI=1S/C14H14N4O2/c1-8-10(7-15-18(8)3)13-16-11-6-9(14(19)20)4-5-12(11)17(13)2/h4-7H,1-3H3,(H,19,20)
InChIKeyUBVRICWAGAHVQY-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.98
Rot. Bonds2

About 2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid

2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid (PubChem CID 63892639) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid
PubChem CID63892639
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid
SMILESCc1c(-c2nc3cc(C(=O)O)ccc3n2C)cnn1C
InChIInChI=1S/C14H14N4O2/c1-8-10(7-15-18(8)3)13-16-11-6-9(14(19)20)4-5-12(11)17(13)2/h4-7H,1-3H3,(H,19,20)
InChIKeyUBVRICWAGAHVQY-UHFFFAOYSA-N
XLogP1.98
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid (CID 63892639) is 2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid is Cc1c(-c2nc3cc(C(=O)O)ccc3n2C)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid?
The InChIKey is UBVRICWAGAHVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-8-10(7-15-18(8)3)13-16-11-6-9(14(19)20)4-5-12(11)17(13)2/h4-7H,1-3H3,(H,19,20).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid?
2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 63892639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).