1-tritylbenzimidazole

C26H20N2 — CID 3102914

IUPAC1-tritylbenzimidazole
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)n2cnc3ccccc32)cc1
InChIInChI=1S/C26H20N2/c1-4-12-21(13-5-1)26(22-14-6-2-7-15-22,23-16-8-3-9-17-23)28-20-27-24-18-10-11-19-25(24)28/h1-20H
InChIKeyKCENPJPWSWRZLS-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.88
Rot. Bonds4

About 1-tritylbenzimidazole

1-tritylbenzimidazole (PubChem CID 3102914) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-tritylbenzimidazole.

Molecular Properties

Compound Name1-tritylbenzimidazole
PubChem CID3102914
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Name1-tritylbenzimidazole
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)n2cnc3ccccc32)cc1
InChIInChI=1S/C26H20N2/c1-4-12-21(13-5-1)26(22-14-6-2-7-15-22,23-16-8-3-9-17-23)28-20-27-24-18-10-11-19-25(24)28/h1-20H
InChIKeyKCENPJPWSWRZLS-UHFFFAOYSA-N
XLogP5.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tritylbenzimidazole?
The IUPAC name of 1-tritylbenzimidazole (CID 3102914) is 1-tritylbenzimidazole.
What is the SMILES notation for 1-tritylbenzimidazole?
The canonical SMILES for 1-tritylbenzimidazole is c1ccc(C(c2ccccc2)(c2ccccc2)n2cnc3ccccc32)cc1.
What is the InChIKey of 1-tritylbenzimidazole?
The InChIKey is KCENPJPWSWRZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2/c1-4-12-21(13-5-1)26(22-14-6-2-7-15-22,23-16-8-3-9-17-23)28-20-27-24-18-10-11-19-25(24)28/h1-20H.
What are the key properties of 1-tritylbenzimidazole?
1-tritylbenzimidazole has a molecular weight of 360.46 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tritylbenzimidazole is sourced from PubChem (CID 3102914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).