2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole

C26H36N2 — CID 3094288

IUPAC2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole
SMILESCc1cc(C)cc(CCCCCCCCCCCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C26H36N2/c1-21-18-22(2)20-23(19-21)14-10-8-6-4-3-5-7-9-11-17-26-27-24-15-12-13-16-25(24)28-26/h12-13,15-16,18-20H,3-11,14,17H2,1-2H3,(H,27,28)
InChIKeyTUUCJNYIAJQTLI-UHFFFAOYSA-N
MW376.59 g/mol
LogP7.48
Rot. Bonds12

About 2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole

2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole (PubChem CID 3094288) has the molecular formula C26H36N2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole
PubChem CID3094288
Molecular FormulaC26H36N2
Molecular Weight376.59 g/mol
Exact Mass376.29
IUPAC Name2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole
SMILESCc1cc(C)cc(CCCCCCCCCCCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C26H36N2/c1-21-18-22(2)20-23(19-21)14-10-8-6-4-3-5-7-9-11-17-26-27-24-15-12-13-16-25(24)28-26/h12-13,15-16,18-20H,3-11,14,17H2,1-2H3,(H,27,28)
InChIKeyTUUCJNYIAJQTLI-UHFFFAOYSA-N
XLogP7.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 57.48
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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Related Compounds

2-(10-phenyldecyl)-1H-benzimidazole
CID 53277780
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CID 21205310
2-docosyl-1H-benzimidazole
CID 141189761
2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazole;hydrochloride
CID 163355751
6-methyl-2-(6-phenylhexyl)-1H-benzimidazole
CID 139625761
N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine
CID 24731956
2-[3-(1H-benzimidazol-2-yl)propyl]-1-(3,5-dimethylphenyl)guanidine
CID 111064164
2-[3-[3-(1H-benzimidazol-2-yl)propyldisulfanyl]propyl]-1H-benzimidazole
CID 14761294
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane
CID 70659054
2-heptadecyl-1H-benzimidazole;sulfuric acid
CID 70491996
CID 87640795
CID 87640795

Frequently Asked Questions

What is the IUPAC name of 2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole?
The IUPAC name of 2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole (CID 3094288) is 2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole.
What is the SMILES notation for 2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole?
The canonical SMILES for 2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole is Cc1cc(C)cc(CCCCCCCCCCCc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole?
The InChIKey is TUUCJNYIAJQTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2/c1-21-18-22(2)20-23(19-21)14-10-8-6-4-3-5-7-9-11-17-26-27-24-15-12-13-16-25(24)28-26/h12-13,15-16,18-20H,3-11,14,17H2,1-2H3,(H,27,28).
What are the key properties of 2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole?
2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole has a molecular weight of 376.59 g/mol, XLogP of 7.48, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole is sourced from PubChem (CID 3094288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).