1-(benzimidazol-1-ylmethyl)pyrazole-3-carboxylic acid

C12H10N4O2 — CID 3236888

IUPAC1-(benzimidazol-1-ylmethyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(Cn2cnc3ccccc32)n1
InChIInChI=1S/C12H10N4O2/c17-12(18)10-5-6-16(14-10)8-15-7-13-9-3-1-2-4-11(9)15/h1-7H,8H2,(H,17,18)
InChIKeySGNVCALOHVBXNR-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.44
Rot. Bonds3

About 1-(benzimidazol-1-ylmethyl)pyrazole-3-carboxylic acid

1-(benzimidazol-1-ylmethyl)pyrazole-3-carboxylic acid (PubChem CID 3236888) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 1-(benzimidazol-1-ylmethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(benzimidazol-1-ylmethyl)pyrazole-3-carboxylic acid
PubChem CID3236888
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name1-(benzimidazol-1-ylmethyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(Cn2cnc3ccccc32)n1
InChIInChI=1S/C12H10N4O2/c17-12(18)10-5-6-16(14-10)8-15-7-13-9-3-1-2-4-11(9)15/h1-7H,8H2,(H,17,18)
InChIKeySGNVCALOHVBXNR-UHFFFAOYSA-N
XLogP1.44
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-ylmethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(benzimidazol-1-ylmethyl)pyrazole-3-carboxylic acid (CID 3236888) is 1-(benzimidazol-1-ylmethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(benzimidazol-1-ylmethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(benzimidazol-1-ylmethyl)pyrazole-3-carboxylic acid is O=C(O)c1ccn(Cn2cnc3ccccc32)n1.
What is the InChIKey of 1-(benzimidazol-1-ylmethyl)pyrazole-3-carboxylic acid?
The InChIKey is SGNVCALOHVBXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c17-12(18)10-5-6-16(14-10)8-15-7-13-9-3-1-2-4-11(9)15/h1-7H,8H2,(H,17,18).
What are the key properties of 1-(benzimidazol-1-ylmethyl)pyrazole-3-carboxylic acid?
1-(benzimidazol-1-ylmethyl)pyrazole-3-carboxylic acid has a molecular weight of 242.24 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-ylmethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 3236888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).