5-tert-butyl-1,3-diphenyl-2H-benzimidazole

C23H24N2 — CID 155454874

IUPAC5-tert-butyl-1,3-diphenyl-2H-benzimidazole
SMILESCC(C)(C)c1ccc2c(c1)N(c1ccccc1)CN2c1ccccc1
InChIInChI=1S/C23H24N2/c1-23(2,3)18-14-15-21-22(16-18)25(20-12-8-5-9-13-20)17-24(21)19-10-6-4-7-11-19/h4-16H,17H2,1-3H3
InChIKeyLQHJQMOKHSJORG-UHFFFAOYSA-N
MW328.46 g/mol
LogP6.23
Rot. Bonds2

About 5-tert-butyl-1,3-diphenyl-2H-benzimidazole

5-tert-butyl-1,3-diphenyl-2H-benzimidazole (PubChem CID 155454874) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 5-tert-butyl-1,3-diphenyl-2H-benzimidazole.

Molecular Properties

Compound Name5-tert-butyl-1,3-diphenyl-2H-benzimidazole
PubChem CID155454874
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name5-tert-butyl-1,3-diphenyl-2H-benzimidazole
SMILESCC(C)(C)c1ccc2c(c1)N(c1ccccc1)CN2c1ccccc1
InChIInChI=1S/C23H24N2/c1-23(2,3)18-14-15-21-22(16-18)25(20-12-8-5-9-13-20)17-24(21)19-10-6-4-7-11-19/h4-16H,17H2,1-3H3
InChIKeyLQHJQMOKHSJORG-UHFFFAOYSA-N
XLogP6.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-diphenyl-2H-benzimidazole?
The IUPAC name of 5-tert-butyl-1,3-diphenyl-2H-benzimidazole (CID 155454874) is 5-tert-butyl-1,3-diphenyl-2H-benzimidazole.
What is the SMILES notation for 5-tert-butyl-1,3-diphenyl-2H-benzimidazole?
The canonical SMILES for 5-tert-butyl-1,3-diphenyl-2H-benzimidazole is CC(C)(C)c1ccc2c(c1)N(c1ccccc1)CN2c1ccccc1.
What is the InChIKey of 5-tert-butyl-1,3-diphenyl-2H-benzimidazole?
The InChIKey is LQHJQMOKHSJORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2/c1-23(2,3)18-14-15-21-22(16-18)25(20-12-8-5-9-13-20)17-24(21)19-10-6-4-7-11-19/h4-16H,17H2,1-3H3.
What are the key properties of 5-tert-butyl-1,3-diphenyl-2H-benzimidazole?
5-tert-butyl-1,3-diphenyl-2H-benzimidazole has a molecular weight of 328.46 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-diphenyl-2H-benzimidazole is sourced from PubChem (CID 155454874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).