1-(1,3-diphenylpyrazol-4-yl)benzimidazole

C22H16N4 — CID 11809839

IUPAC1-(1,3-diphenylpyrazol-4-yl)benzimidazole
SMILESc1ccc(-c2nn(-c3ccccc3)cc2-n2cnc3ccccc32)cc1
InChIInChI=1S/C22H16N4/c1-3-9-17(10-4-1)22-21(15-26(24-22)18-11-5-2-6-12-18)25-16-23-19-13-7-8-14-20(19)25/h1-16H
InChIKeySQFSIOXNYJHMSU-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.88
Rot. Bonds3

About 1-(1,3-diphenylpyrazol-4-yl)benzimidazole

1-(1,3-diphenylpyrazol-4-yl)benzimidazole (PubChem CID 11809839) has the molecular formula C22H16N4 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(1,3-diphenylpyrazol-4-yl)benzimidazole.

Molecular Properties

Compound Name1-(1,3-diphenylpyrazol-4-yl)benzimidazole
PubChem CID11809839
Molecular FormulaC22H16N4
Molecular Weight336.40 g/mol
Exact Mass336.14
IUPAC Name1-(1,3-diphenylpyrazol-4-yl)benzimidazole
SMILESc1ccc(-c2nn(-c3ccccc3)cc2-n2cnc3ccccc32)cc1
InChIInChI=1S/C22H16N4/c1-3-9-17(10-4-1)22-21(15-26(24-22)18-11-5-2-6-12-18)25-16-23-19-13-7-8-14-20(19)25/h1-16H
InChIKeySQFSIOXNYJHMSU-UHFFFAOYSA-N
XLogP4.88
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-triphenylpyrazole
CID 555882
2-(benzimidazol-1-ylmethyl)-5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole
CID 52936885
[3-(benzimidazol-1-yl)phenyl]-diphenylphosphane
CID 89051577
CID 149192166
CID 149192166
3-(benzimidazol-1-yl)-4-methylaniline
CID 82512834
benzotriazol-1-yl-(1,3-diphenylpyrazol-4-yl)methanone
CID 1409855
CID 174119246
CID 174119246
(E)-3-(1,3-diphenylpyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile
CID 7912313
4-(benzimidazol-1-yl)benzaldehyde
CID 737733
1-(2-ethylphenyl)benzimidazole
CID 22078308
1-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzimidazole
CID 150367627
2-amino-2-(hydroxymethyl)propane-1,3-diol;1-phenylbenzimidazole
CID 155109069

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diphenylpyrazol-4-yl)benzimidazole?
The IUPAC name of 1-(1,3-diphenylpyrazol-4-yl)benzimidazole (CID 11809839) is 1-(1,3-diphenylpyrazol-4-yl)benzimidazole.
What is the SMILES notation for 1-(1,3-diphenylpyrazol-4-yl)benzimidazole?
The canonical SMILES for 1-(1,3-diphenylpyrazol-4-yl)benzimidazole is c1ccc(-c2nn(-c3ccccc3)cc2-n2cnc3ccccc32)cc1.
What is the InChIKey of 1-(1,3-diphenylpyrazol-4-yl)benzimidazole?
The InChIKey is SQFSIOXNYJHMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4/c1-3-9-17(10-4-1)22-21(15-26(24-22)18-11-5-2-6-12-18)25-16-23-19-13-7-8-14-20(19)25/h1-16H.
What are the key properties of 1-(1,3-diphenylpyrazol-4-yl)benzimidazole?
1-(1,3-diphenylpyrazol-4-yl)benzimidazole has a molecular weight of 336.40 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diphenylpyrazol-4-yl)benzimidazole is sourced from PubChem (CID 11809839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).