5,6-dimethyl-1-tritylbenzimidazole

C28H24N2 — CID 68814064

IUPAC5,6-dimethyl-1-tritylbenzimidazole
SMILESCc1cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1C
InChIInChI=1S/C28H24N2/c1-21-18-26-27(19-22(21)2)30(20-29-26)28(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-20H,1-2H3
InChIKeyUMNWYLZDDCPZGF-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.49
Rot. Bonds4

About 5,6-dimethyl-1-tritylbenzimidazole

5,6-dimethyl-1-tritylbenzimidazole (PubChem CID 68814064) has the molecular formula C28H24N2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 5,6-dimethyl-1-tritylbenzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-1-tritylbenzimidazole
PubChem CID68814064
Molecular FormulaC28H24N2
Molecular Weight388.51 g/mol
Exact Mass388.19
IUPAC Name5,6-dimethyl-1-tritylbenzimidazole
SMILESCc1cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1C
InChIInChI=1S/C28H24N2/c1-21-18-26-27(19-22(21)2)30(20-29-26)28(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-20H,1-2H3
InChIKeyUMNWYLZDDCPZGF-UHFFFAOYSA-N
XLogP6.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.49
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 5,6-dimethyl-1-tritylbenzimidazole?
The IUPAC name of 5,6-dimethyl-1-tritylbenzimidazole (CID 68814064) is 5,6-dimethyl-1-tritylbenzimidazole.
What is the SMILES notation for 5,6-dimethyl-1-tritylbenzimidazole?
The canonical SMILES for 5,6-dimethyl-1-tritylbenzimidazole is Cc1cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1C.
What is the InChIKey of 5,6-dimethyl-1-tritylbenzimidazole?
The InChIKey is UMNWYLZDDCPZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2/c1-21-18-26-27(19-22(21)2)30(20-29-26)28(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-20H,1-2H3.
What are the key properties of 5,6-dimethyl-1-tritylbenzimidazole?
5,6-dimethyl-1-tritylbenzimidazole has a molecular weight of 388.51 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-tritylbenzimidazole is sourced from PubChem (CID 68814064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).