6-methyl-2-(6-phenylhexyl)-1H-benzimidazole

C20H24N2 — CID 139625761

IUPAC6-methyl-2-(6-phenylhexyl)-1H-benzimidazole
SMILESCc1ccc2nc(CCCCCCc3ccccc3)[nH]c2c1
InChIInChI=1S/C20H24N2/c1-16-13-14-18-19(15-16)22-20(21-18)12-8-3-2-5-9-17-10-6-4-7-11-17/h4,6-7,10-11,13-15H,2-3,5,8-9,12H2,1H3,(H,21,22)
InChIKeyPOLZOQIXBSHRJF-UHFFFAOYSA-N
MW292.43 g/mol
LogP5.22
Rot. Bonds7

About 6-methyl-2-(6-phenylhexyl)-1H-benzimidazole

6-methyl-2-(6-phenylhexyl)-1H-benzimidazole (PubChem CID 139625761) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-methyl-2-(6-phenylhexyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-(6-phenylhexyl)-1H-benzimidazole
PubChem CID139625761
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name6-methyl-2-(6-phenylhexyl)-1H-benzimidazole
SMILESCc1ccc2nc(CCCCCCc3ccccc3)[nH]c2c1
InChIInChI=1S/C20H24N2/c1-16-13-14-18-19(15-16)22-20(21-18)12-8-3-2-5-9-17-10-6-4-7-11-17/h4,6-7,10-11,13-15H,2-3,5,8-9,12H2,1H3,(H,21,22)
InChIKeyPOLZOQIXBSHRJF-UHFFFAOYSA-N
XLogP5.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.43
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(6-phenylhexyl)-1H-benzimidazole?
The IUPAC name of 6-methyl-2-(6-phenylhexyl)-1H-benzimidazole (CID 139625761) is 6-methyl-2-(6-phenylhexyl)-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-(6-phenylhexyl)-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-(6-phenylhexyl)-1H-benzimidazole is Cc1ccc2nc(CCCCCCc3ccccc3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(6-phenylhexyl)-1H-benzimidazole?
The InChIKey is POLZOQIXBSHRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-16-13-14-18-19(15-16)22-20(21-18)12-8-3-2-5-9-17-10-6-4-7-11-17/h4,6-7,10-11,13-15H,2-3,5,8-9,12H2,1H3,(H,21,22).
What are the key properties of 6-methyl-2-(6-phenylhexyl)-1H-benzimidazole?
6-methyl-2-(6-phenylhexyl)-1H-benzimidazole has a molecular weight of 292.43 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(6-phenylhexyl)-1H-benzimidazole is sourced from PubChem (CID 139625761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).