2-(phenoxymethyl)-1-(5-phenyl-1H-pyrazol-3-yl)benzimidazole

C23H18N4O — CID 1104852

IUPAC2-(phenoxymethyl)-1-(5-phenyl-1H-pyrazol-3-yl)benzimidazole
SMILESc1ccc(OCc2nc3ccccc3n2-c2cc(-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C23H18N4O/c1-3-9-17(10-4-1)20-15-22(26-25-20)27-21-14-8-7-13-19(21)24-23(27)16-28-18-11-5-2-6-12-18/h1-15H,16H2,(H,25,26)
InChIKeyMTQSFBBQVYVWQV-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.99
Rot. Bonds5

About 2-(phenoxymethyl)-1-(5-phenyl-1H-pyrazol-3-yl)benzimidazole

2-(phenoxymethyl)-1-(5-phenyl-1H-pyrazol-3-yl)benzimidazole (PubChem CID 1104852) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(phenoxymethyl)-1-(5-phenyl-1H-pyrazol-3-yl)benzimidazole.

Molecular Properties

Compound Name2-(phenoxymethyl)-1-(5-phenyl-1H-pyrazol-3-yl)benzimidazole
PubChem CID1104852
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name2-(phenoxymethyl)-1-(5-phenyl-1H-pyrazol-3-yl)benzimidazole
SMILESc1ccc(OCc2nc3ccccc3n2-c2cc(-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C23H18N4O/c1-3-9-17(10-4-1)20-15-22(26-25-20)27-21-14-8-7-13-19(21)24-23(27)16-28-18-11-5-2-6-12-18/h1-15H,16H2,(H,25,26)
InChIKeyMTQSFBBQVYVWQV-UHFFFAOYSA-N
XLogP4.99
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-1-(5-phenyl-1H-pyrazol-3-yl)benzimidazole?
The IUPAC name of 2-(phenoxymethyl)-1-(5-phenyl-1H-pyrazol-3-yl)benzimidazole (CID 1104852) is 2-(phenoxymethyl)-1-(5-phenyl-1H-pyrazol-3-yl)benzimidazole.
What is the SMILES notation for 2-(phenoxymethyl)-1-(5-phenyl-1H-pyrazol-3-yl)benzimidazole?
The canonical SMILES for 2-(phenoxymethyl)-1-(5-phenyl-1H-pyrazol-3-yl)benzimidazole is c1ccc(OCc2nc3ccccc3n2-c2cc(-c3ccccc3)[nH]n2)cc1.
What is the InChIKey of 2-(phenoxymethyl)-1-(5-phenyl-1H-pyrazol-3-yl)benzimidazole?
The InChIKey is MTQSFBBQVYVWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-3-9-17(10-4-1)20-15-22(26-25-20)27-21-14-8-7-13-19(21)24-23(27)16-28-18-11-5-2-6-12-18/h1-15H,16H2,(H,25,26).
What are the key properties of 2-(phenoxymethyl)-1-(5-phenyl-1H-pyrazol-3-yl)benzimidazole?
2-(phenoxymethyl)-1-(5-phenyl-1H-pyrazol-3-yl)benzimidazole has a molecular weight of 366.42 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-1-(5-phenyl-1H-pyrazol-3-yl)benzimidazole is sourced from PubChem (CID 1104852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).