1-dodecyl-2-(methoxymethyl)benzimidazole

C21H34N2O — CID 16996870

IUPAC1-dodecyl-2-(methoxymethyl)benzimidazole
SMILESCCCCCCCCCCCCn1c(COC)nc2ccccc21
InChIInChI=1S/C21H34N2O/c1-3-4-5-6-7-8-9-10-11-14-17-23-20-16-13-12-15-19(20)22-21(23)18-24-2/h12-13,15-16H,3-11,14,17-18H2,1-2H3
InChIKeyTXWLYOYBLAKRFJ-UHFFFAOYSA-N
MW330.52 g/mol
LogP6.10
Rot. Bonds13

About 1-dodecyl-2-(methoxymethyl)benzimidazole

1-dodecyl-2-(methoxymethyl)benzimidazole (PubChem CID 16996870) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-dodecyl-2-(methoxymethyl)benzimidazole.

Molecular Properties

Compound Name1-dodecyl-2-(methoxymethyl)benzimidazole
PubChem CID16996870
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name1-dodecyl-2-(methoxymethyl)benzimidazole
SMILESCCCCCCCCCCCCn1c(COC)nc2ccccc21
InChIInChI=1S/C21H34N2O/c1-3-4-5-6-7-8-9-10-11-14-17-23-20-16-13-12-15-19(20)22-21(23)18-24-2/h12-13,15-16H,3-11,14,17-18H2,1-2H3
InChIKeyTXWLYOYBLAKRFJ-UHFFFAOYSA-N
XLogP6.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole
CID 4238705
1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999339
2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole
CID 16997296
1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 4631814
1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998310
2-benzyl-1-hexadecylbenzimidazole
CID 4627397
2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide
CID 16974546
2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16996931
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-2-(methoxymethyl)benzimidazole?
The IUPAC name of 1-dodecyl-2-(methoxymethyl)benzimidazole (CID 16996870) is 1-dodecyl-2-(methoxymethyl)benzimidazole.
What is the SMILES notation for 1-dodecyl-2-(methoxymethyl)benzimidazole?
The canonical SMILES for 1-dodecyl-2-(methoxymethyl)benzimidazole is CCCCCCCCCCCCn1c(COC)nc2ccccc21.
What is the InChIKey of 1-dodecyl-2-(methoxymethyl)benzimidazole?
The InChIKey is TXWLYOYBLAKRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-3-4-5-6-7-8-9-10-11-14-17-23-20-16-13-12-15-19(20)22-21(23)18-24-2/h12-13,15-16H,3-11,14,17-18H2,1-2H3.
What are the key properties of 1-dodecyl-2-(methoxymethyl)benzimidazole?
1-dodecyl-2-(methoxymethyl)benzimidazole has a molecular weight of 330.52 g/mol, XLogP of 6.10, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2-(methoxymethyl)benzimidazole is sourced from PubChem (CID 16996870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).