1-(1,3-diphenylpyrazol-5-yl)-2-phenylbenzimidazole

C28H20N4 — CID 2834406

IUPAC1-(1,3-diphenylpyrazol-5-yl)-2-phenylbenzimidazole
SMILESc1ccc(-c2cc(-n3c(-c4ccccc4)nc4ccccc43)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C28H20N4/c1-4-12-21(13-5-1)25-20-27(32(30-25)23-16-8-3-9-17-23)31-26-19-11-10-18-24(26)29-28(31)22-14-6-2-7-15-22/h1-20H
InChIKeyOYUZBPRCDLXLDP-UHFFFAOYSA-N
MW412.50 g/mol
LogP6.55
Rot. Bonds4

About 1-(1,3-diphenylpyrazol-5-yl)-2-phenylbenzimidazole

1-(1,3-diphenylpyrazol-5-yl)-2-phenylbenzimidazole (PubChem CID 2834406) has the molecular formula C28H20N4 and a molecular weight of 412.50 g/mol. Its IUPAC name is 1-(1,3-diphenylpyrazol-5-yl)-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-(1,3-diphenylpyrazol-5-yl)-2-phenylbenzimidazole
PubChem CID2834406
Molecular FormulaC28H20N4
Molecular Weight412.50 g/mol
Exact Mass412.17
IUPAC Name1-(1,3-diphenylpyrazol-5-yl)-2-phenylbenzimidazole
SMILESc1ccc(-c2cc(-n3c(-c4ccccc4)nc4ccccc43)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C28H20N4/c1-4-12-21(13-5-1)25-20-27(32(30-25)23-16-8-3-9-17-23)31-26-19-11-10-18-24(26)29-28(31)22-14-6-2-7-15-22/h1-20H
InChIKeyOYUZBPRCDLXLDP-UHFFFAOYSA-N
XLogP6.55
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.50
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497
1-naphthalen-2-yl-2-phenylbenzimidazole
CID 134454984
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole
CID 155179256
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
CID 155173927
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole
CID 90324561
2-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]phenyl]benzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazole
CID 161378320
2-(1,3-diphenylpyrazol-5-yl)-3-phenylquinazolin-4-one
CID 102437700
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diphenylpyrazol-5-yl)-2-phenylbenzimidazole?
The IUPAC name of 1-(1,3-diphenylpyrazol-5-yl)-2-phenylbenzimidazole (CID 2834406) is 1-(1,3-diphenylpyrazol-5-yl)-2-phenylbenzimidazole.
What is the SMILES notation for 1-(1,3-diphenylpyrazol-5-yl)-2-phenylbenzimidazole?
The canonical SMILES for 1-(1,3-diphenylpyrazol-5-yl)-2-phenylbenzimidazole is c1ccc(-c2cc(-n3c(-c4ccccc4)nc4ccccc43)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-(1,3-diphenylpyrazol-5-yl)-2-phenylbenzimidazole?
The InChIKey is OYUZBPRCDLXLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4/c1-4-12-21(13-5-1)25-20-27(32(30-25)23-16-8-3-9-17-23)31-26-19-11-10-18-24(26)29-28(31)22-14-6-2-7-15-22/h1-20H.
What are the key properties of 1-(1,3-diphenylpyrazol-5-yl)-2-phenylbenzimidazole?
1-(1,3-diphenylpyrazol-5-yl)-2-phenylbenzimidazole has a molecular weight of 412.50 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diphenylpyrazol-5-yl)-2-phenylbenzimidazole is sourced from PubChem (CID 2834406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).