4-benzyl-2-phenyl-1H-benzimidazole

C20H16N2 — CID 67700933

IUPAC4-benzyl-2-phenyl-1H-benzimidazole
SMILESc1ccc(Cc2cccc3[nH]c(-c4ccccc4)nc23)cc1
InChIInChI=1S/C20H16N2/c1-3-8-15(9-4-1)14-17-12-7-13-18-19(17)22-20(21-18)16-10-5-2-6-11-16/h1-13H,14H2,(H,21,22)
InChIKeyPBXSBAAGMGPYAJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.82
Rot. Bonds3

About 4-benzyl-2-phenyl-1H-benzimidazole

4-benzyl-2-phenyl-1H-benzimidazole (PubChem CID 67700933) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-benzyl-2-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name4-benzyl-2-phenyl-1H-benzimidazole
PubChem CID67700933
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name4-benzyl-2-phenyl-1H-benzimidazole
SMILESc1ccc(Cc2cccc3[nH]c(-c4ccccc4)nc23)cc1
InChIInChI=1S/C20H16N2/c1-3-8-15(9-4-1)14-17-12-7-13-18-19(17)22-20(21-18)16-10-5-2-6-11-16/h1-13H,14H2,(H,21,22)
InChIKeyPBXSBAAGMGPYAJ-UHFFFAOYSA-N
XLogP4.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-phenyl-1H-benzimidazole?
The IUPAC name of 4-benzyl-2-phenyl-1H-benzimidazole (CID 67700933) is 4-benzyl-2-phenyl-1H-benzimidazole.
What is the SMILES notation for 4-benzyl-2-phenyl-1H-benzimidazole?
The canonical SMILES for 4-benzyl-2-phenyl-1H-benzimidazole is c1ccc(Cc2cccc3[nH]c(-c4ccccc4)nc23)cc1.
What is the InChIKey of 4-benzyl-2-phenyl-1H-benzimidazole?
The InChIKey is PBXSBAAGMGPYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-3-8-15(9-4-1)14-17-12-7-13-18-19(17)22-20(21-18)16-10-5-2-6-11-16/h1-13H,14H2,(H,21,22).
What are the key properties of 4-benzyl-2-phenyl-1H-benzimidazole?
4-benzyl-2-phenyl-1H-benzimidazole has a molecular weight of 284.36 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-phenyl-1H-benzimidazole is sourced from PubChem (CID 67700933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).