1,2-dibenzylbenzimidazole

C21H18N2 — CID 1350539

IUPAC1,2-dibenzylbenzimidazole
SMILESc1ccc(Cc2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C21H18N2/c1-3-9-17(10-4-1)15-21-22-19-13-7-8-14-20(19)23(21)16-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyNHIAAIBSMYJLEC-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.68
Rot. Bonds4

About 1,2-dibenzylbenzimidazole

1,2-dibenzylbenzimidazole (PubChem CID 1350539) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1,2-dibenzylbenzimidazole.

Molecular Properties

Compound Name1,2-dibenzylbenzimidazole
PubChem CID1350539
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name1,2-dibenzylbenzimidazole
SMILESc1ccc(Cc2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C21H18N2/c1-3-9-17(10-4-1)15-21-22-19-13-7-8-14-20(19)23(21)16-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyNHIAAIBSMYJLEC-UHFFFAOYSA-N
XLogP4.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibenzylbenzimidazole?
The IUPAC name of 1,2-dibenzylbenzimidazole (CID 1350539) is 1,2-dibenzylbenzimidazole.
What is the SMILES notation for 1,2-dibenzylbenzimidazole?
The canonical SMILES for 1,2-dibenzylbenzimidazole is c1ccc(Cc2nc3ccccc3n2Cc2ccccc2)cc1.
What is the InChIKey of 1,2-dibenzylbenzimidazole?
The InChIKey is NHIAAIBSMYJLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-3-9-17(10-4-1)15-21-22-19-13-7-8-14-20(19)23(21)16-18-11-5-2-6-12-18/h1-14H,15-16H2.
What are the key properties of 1,2-dibenzylbenzimidazole?
1,2-dibenzylbenzimidazole has a molecular weight of 298.39 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibenzylbenzimidazole is sourced from PubChem (CID 1350539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).