2-[4-(benzimidazol-1-ylmethyl)pyrazol-1-yl]benzoic acid

C18H14N4O2 — CID 110097518

IUPAC2-[4-(benzimidazol-1-ylmethyl)pyrazol-1-yl]benzoic acid
SMILESO=C(O)c1ccccc1-n1cc(Cn2cnc3ccccc32)cn1
InChIInChI=1S/C18H14N4O2/c23-18(24)14-5-1-3-7-16(14)22-11-13(9-20-22)10-21-12-19-15-6-2-4-8-17(15)21/h1-9,11-12H,10H2,(H,23,24)
InChIKeyYJSLDRIVGWESHY-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.97
Rot. Bonds4

About 2-[4-(benzimidazol-1-ylmethyl)pyrazol-1-yl]benzoic acid

2-[4-(benzimidazol-1-ylmethyl)pyrazol-1-yl]benzoic acid (PubChem CID 110097518) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-[4-(benzimidazol-1-ylmethyl)pyrazol-1-yl]benzoic acid.

Molecular Properties

Compound Name2-[4-(benzimidazol-1-ylmethyl)pyrazol-1-yl]benzoic acid
PubChem CID110097518
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name2-[4-(benzimidazol-1-ylmethyl)pyrazol-1-yl]benzoic acid
SMILESO=C(O)c1ccccc1-n1cc(Cn2cnc3ccccc32)cn1
InChIInChI=1S/C18H14N4O2/c23-18(24)14-5-1-3-7-16(14)22-11-13(9-20-22)10-21-12-19-15-6-2-4-8-17(15)21/h1-9,11-12H,10H2,(H,23,24)
InChIKeyYJSLDRIVGWESHY-UHFFFAOYSA-N
XLogP2.97
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzimidazol-1-ylmethyl)pyrazol-1-yl]benzoic acid?
The IUPAC name of 2-[4-(benzimidazol-1-ylmethyl)pyrazol-1-yl]benzoic acid (CID 110097518) is 2-[4-(benzimidazol-1-ylmethyl)pyrazol-1-yl]benzoic acid.
What is the SMILES notation for 2-[4-(benzimidazol-1-ylmethyl)pyrazol-1-yl]benzoic acid?
The canonical SMILES for 2-[4-(benzimidazol-1-ylmethyl)pyrazol-1-yl]benzoic acid is O=C(O)c1ccccc1-n1cc(Cn2cnc3ccccc32)cn1.
What is the InChIKey of 2-[4-(benzimidazol-1-ylmethyl)pyrazol-1-yl]benzoic acid?
The InChIKey is YJSLDRIVGWESHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-18(24)14-5-1-3-7-16(14)22-11-13(9-20-22)10-21-12-19-15-6-2-4-8-17(15)21/h1-9,11-12H,10H2,(H,23,24).
What are the key properties of 2-[4-(benzimidazol-1-ylmethyl)pyrazol-1-yl]benzoic acid?
2-[4-(benzimidazol-1-ylmethyl)pyrazol-1-yl]benzoic acid has a molecular weight of 318.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzimidazol-1-ylmethyl)pyrazol-1-yl]benzoic acid is sourced from PubChem (CID 110097518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).