2-dodecyl-1,4-dimethylbenzimidazole

C21H34N2 — CID 22734767

IUPAC2-dodecyl-1,4-dimethylbenzimidazole
SMILESCCCCCCCCCCCCc1nc2c(C)cccc2n1C
InChIInChI=1S/C21H34N2/c1-4-5-6-7-8-9-10-11-12-13-17-20-22-21-18(2)15-14-16-19(21)23(20)3/h14-16H,4-13,17H2,1-3H3
InChIKeyLXZNAIFMGMLECK-UHFFFAOYSA-N
MW314.52 g/mol
LogP6.35
Rot. Bonds11

About 2-dodecyl-1,4-dimethylbenzimidazole

2-dodecyl-1,4-dimethylbenzimidazole (PubChem CID 22734767) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 2-dodecyl-1,4-dimethylbenzimidazole.

Molecular Properties

Compound Name2-dodecyl-1,4-dimethylbenzimidazole
PubChem CID22734767
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC Name2-dodecyl-1,4-dimethylbenzimidazole
SMILESCCCCCCCCCCCCc1nc2c(C)cccc2n1C
InChIInChI=1S/C21H34N2/c1-4-5-6-7-8-9-10-11-12-13-17-20-22-21-18(2)15-14-16-19(21)23(20)3/h14-16H,4-13,17H2,1-3H3
InChIKeyLXZNAIFMGMLECK-UHFFFAOYSA-N
XLogP6.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.52
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethyl-2-(3-methylbutyl)benzimidazole
CID 22734749
2-heptan-3-yl-1,4-dimethylbenzimidazole
CID 22734816
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
1-butoxy-4-methyl-2-phenylbenzimidazole
CID 15514770
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
1,3-dimethyl-2-tridecylindole
CID 122371242
1,4-dimethylbenzimidazol-2-amine;dihydrochloride
CID 174932005
2-butyl-1-methylimidazo[4,5-c]pyridine
CID 150484060
(E)-3-(2-hexyl-1-methylbenzimidazol-5-yl)prop-2-enethial
CID 146292109
[2-(3-ethoxypropyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721481

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-1,4-dimethylbenzimidazole?
The IUPAC name of 2-dodecyl-1,4-dimethylbenzimidazole (CID 22734767) is 2-dodecyl-1,4-dimethylbenzimidazole.
What is the SMILES notation for 2-dodecyl-1,4-dimethylbenzimidazole?
The canonical SMILES for 2-dodecyl-1,4-dimethylbenzimidazole is CCCCCCCCCCCCc1nc2c(C)cccc2n1C.
What is the InChIKey of 2-dodecyl-1,4-dimethylbenzimidazole?
The InChIKey is LXZNAIFMGMLECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2/c1-4-5-6-7-8-9-10-11-12-13-17-20-22-21-18(2)15-14-16-19(21)23(20)3/h14-16H,4-13,17H2,1-3H3.
What are the key properties of 2-dodecyl-1,4-dimethylbenzimidazole?
2-dodecyl-1,4-dimethylbenzimidazole has a molecular weight of 314.52 g/mol, XLogP of 6.35, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-1,4-dimethylbenzimidazole is sourced from PubChem (CID 22734767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).