1-benzyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole

C26H28N2 — CID 3801708

IUPAC1-benzyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
SMILESCC(C)Cc1ccc(C(C)c2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C26H28N2/c1-19(2)17-21-13-15-23(16-14-21)20(3)26-27-24-11-7-8-12-25(24)28(26)18-22-9-5-4-6-10-22/h4-16,19-20H,17-18H2,1-3H3
InChIKeyZHLXTYWXOGKKHW-UHFFFAOYSA-N
MW368.52 g/mol
LogP6.43
Rot. Bonds6

About 1-benzyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole

1-benzyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole (PubChem CID 3801708) has the molecular formula C26H28N2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-benzyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
PubChem CID3801708
Molecular FormulaC26H28N2
Molecular Weight368.52 g/mol
Exact Mass368.23
IUPAC Name1-benzyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
SMILESCC(C)Cc1ccc(C(C)c2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C26H28N2/c1-19(2)17-21-13-15-23(16-14-21)20(3)26-27-24-11-7-8-12-25(24)28(26)18-22-9-5-4-6-10-22/h4-16,19-20H,17-18H2,1-3H3
InChIKeyZHLXTYWXOGKKHW-UHFFFAOYSA-N
XLogP6.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The IUPAC name of 1-benzyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole (CID 3801708) is 1-benzyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole.
What is the SMILES notation for 1-benzyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The canonical SMILES for 1-benzyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole is CC(C)Cc1ccc(C(C)c2nc3ccccc3n2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The InChIKey is ZHLXTYWXOGKKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2/c1-19(2)17-21-13-15-23(16-14-21)20(3)26-27-24-11-7-8-12-25(24)28(26)18-22-9-5-4-6-10-22/h4-16,19-20H,17-18H2,1-3H3.
What are the key properties of 1-benzyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
1-benzyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole has a molecular weight of 368.52 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole is sourced from PubChem (CID 3801708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).