2-docosyl-1H-benzimidazole

C29H50N2 — CID 141189761

IUPAC2-docosyl-1H-benzimidazole
SMILESCCCCCCCCCCCCCCCCCCCCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C29H50N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-29-30-27-24-22-23-25-28(27)31-29/h22-25H,2-21,26H2,1H3,(H,30,31)
InChIKeyFPLULCFKYZADCB-UHFFFAOYSA-N
MW426.73 g/mol
LogP9.93
Rot. Bonds21

About 2-docosyl-1H-benzimidazole

2-docosyl-1H-benzimidazole (PubChem CID 141189761) has the molecular formula C29H50N2 and a molecular weight of 426.73 g/mol. Its IUPAC name is 2-docosyl-1H-benzimidazole.

Molecular Properties

Compound Name2-docosyl-1H-benzimidazole
PubChem CID141189761
Molecular FormulaC29H50N2
Molecular Weight426.73 g/mol
Exact Mass426.40
IUPAC Name2-docosyl-1H-benzimidazole
SMILESCCCCCCCCCCCCCCCCCCCCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C29H50N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-29-30-27-24-22-23-25-28(27)31-29/h22-25H,2-21,26H2,1H3,(H,30,31)
InChIKeyFPLULCFKYZADCB-UHFFFAOYSA-N
XLogP9.93
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.73
LogP ≤ 59.93
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-heptadecyl-1H-benzimidazole;sulfuric acid
CID 70491996
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N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
CID 83961810
6-(1H-benzimidazol-2-yl)-2-octyl-1H-benzimidazole
CID 54132901
N-[2-(1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336874
2-(2-decylsulfanylethyl)-1H-benzimidazole
CID 139610484
2-(10-phenyldecyl)-1H-benzimidazole
CID 53277780
(Z,8R)-1-(1H-benzimidazol-2-yl)heptadec-11-en-8-ol
CID 42604379
2-(pentoxymethyl)-1H-benzimidazole
CID 139950764
tetrakis(2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole);tetrakis(cobalt(2+));ethanol;octaacetate
CID 139070067
2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole
CID 3094288
3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane
CID 70659054

Frequently Asked Questions

What is the IUPAC name of 2-docosyl-1H-benzimidazole?
The IUPAC name of 2-docosyl-1H-benzimidazole (CID 141189761) is 2-docosyl-1H-benzimidazole.
What is the SMILES notation for 2-docosyl-1H-benzimidazole?
The canonical SMILES for 2-docosyl-1H-benzimidazole is CCCCCCCCCCCCCCCCCCCCCCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-docosyl-1H-benzimidazole?
The InChIKey is FPLULCFKYZADCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H50N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-29-30-27-24-22-23-25-28(27)31-29/h22-25H,2-21,26H2,1H3,(H,30,31).
What are the key properties of 2-docosyl-1H-benzimidazole?
2-docosyl-1H-benzimidazole has a molecular weight of 426.73 g/mol, XLogP of 9.93, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-docosyl-1H-benzimidazole is sourced from PubChem (CID 141189761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).