4,5-dimethyl-2-octyl-1H-benzimidazole

C17H26N2 — CID 54123054

IUPAC4,5-dimethyl-2-octyl-1H-benzimidazole
SMILESCCCCCCCCc1nc2c(C)c(C)ccc2[nH]1
InChIInChI=1S/C17H26N2/c1-4-5-6-7-8-9-10-16-18-15-12-11-13(2)14(3)17(15)19-16/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyNPBGTTVDPLCGOM-UHFFFAOYSA-N
MW258.41 g/mol
LogP5.08
Rot. Bonds7

About 4,5-dimethyl-2-octyl-1H-benzimidazole

4,5-dimethyl-2-octyl-1H-benzimidazole (PubChem CID 54123054) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 4,5-dimethyl-2-octyl-1H-benzimidazole.

Molecular Properties

Compound Name4,5-dimethyl-2-octyl-1H-benzimidazole
PubChem CID54123054
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name4,5-dimethyl-2-octyl-1H-benzimidazole
SMILESCCCCCCCCc1nc2c(C)c(C)ccc2[nH]1
InChIInChI=1S/C17H26N2/c1-4-5-6-7-8-9-10-16-18-15-12-11-13(2)14(3)17(15)19-16/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyNPBGTTVDPLCGOM-UHFFFAOYSA-N
XLogP5.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.41
LogP ≤ 55.08
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

1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine
CID 84618784
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]methanesulfonamide
CID 131934944
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
CID 131918098
2-undecyl-1H-benzimidazol-4-amine
CID 65427678
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 72875953
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide
CID 91841705
2-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)pentan-3-yl]-4,5-dimethyl-1H-benzimidazole
CID 150245168
2-docosyl-1H-benzimidazole
CID 141189761
2-[3-(2,3-dimethylphenyl)propyl]-4-methyl-1H-benzimidazole
CID 19000532
ethane;2,4,5-trimethyl-1H-benzimidazole
CID 142026179
4-bromo-5-methyl-2-tetradecyl-1H-imidazole
CID 101319947
4-bromo-2-heptadecyl-5-methyl-1H-imidazole
CID 101319950

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-octyl-1H-benzimidazole?
The IUPAC name of 4,5-dimethyl-2-octyl-1H-benzimidazole (CID 54123054) is 4,5-dimethyl-2-octyl-1H-benzimidazole.
What is the SMILES notation for 4,5-dimethyl-2-octyl-1H-benzimidazole?
The canonical SMILES for 4,5-dimethyl-2-octyl-1H-benzimidazole is CCCCCCCCc1nc2c(C)c(C)ccc2[nH]1.
What is the InChIKey of 4,5-dimethyl-2-octyl-1H-benzimidazole?
The InChIKey is NPBGTTVDPLCGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-4-5-6-7-8-9-10-16-18-15-12-11-13(2)14(3)17(15)19-16/h11-12H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 4,5-dimethyl-2-octyl-1H-benzimidazole?
4,5-dimethyl-2-octyl-1H-benzimidazole has a molecular weight of 258.41 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-octyl-1H-benzimidazole is sourced from PubChem (CID 54123054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).