2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetic acid

C19H16N4O2 — CID 118559083

IUPAC2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetic acid
SMILESCn1cc(-c2ccc3c(c2)ncn3-c2ccc(CC(=O)O)cc2)cn1
InChIInChI=1S/C19H16N4O2/c1-22-11-15(10-21-22)14-4-7-18-17(9-14)20-12-23(18)16-5-2-13(3-6-16)8-19(24)25/h2-7,9-12H,8H2,1H3,(H,24,25)
InChIKeyJZDIGNKCECADFC-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.05
Rot. Bonds4

About 2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetic acid

2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetic acid (PubChem CID 118559083) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetic acid
PubChem CID118559083
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetic acid
SMILESCn1cc(-c2ccc3c(c2)ncn3-c2ccc(CC(=O)O)cc2)cn1
InChIInChI=1S/C19H16N4O2/c1-22-11-15(10-21-22)14-4-7-18-17(9-14)20-12-23(18)16-5-2-13(3-6-16)8-19(24)25/h2-7,9-12H,8H2,1H3,(H,24,25)
InChIKeyJZDIGNKCECADFC-UHFFFAOYSA-N
XLogP3.05
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetic acid (CID 118559083) is 2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetic acid is Cn1cc(-c2ccc3c(c2)ncn3-c2ccc(CC(=O)O)cc2)cn1.
What is the InChIKey of 2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetic acid?
The InChIKey is JZDIGNKCECADFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-22-11-15(10-21-22)14-4-7-18-17(9-14)20-12-23(18)16-5-2-13(3-6-16)8-19(24)25/h2-7,9-12H,8H2,1H3,(H,24,25).
What are the key properties of 2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetic acid?
2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetic acid has a molecular weight of 332.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetic acid is sourced from PubChem (CID 118559083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).