1-dodecyl-2-(2-methylphenyl)benzimidazole

C26H36N2 — CID 17000610

IUPAC1-dodecyl-2-(2-methylphenyl)benzimidazole
SMILESCCCCCCCCCCCCn1c(-c2ccccc2C)nc2ccccc21
InChIInChI=1S/C26H36N2/c1-3-4-5-6-7-8-9-10-11-16-21-28-25-20-15-14-19-24(25)27-26(28)23-18-13-12-17-22(23)2/h12-15,17-20H,3-11,16,21H2,1-2H3
InChIKeyVXQRCWIJZJVCKL-UHFFFAOYSA-N
MW376.59 g/mol
LogP7.93
Rot. Bonds12

About 1-dodecyl-2-(2-methylphenyl)benzimidazole

1-dodecyl-2-(2-methylphenyl)benzimidazole (PubChem CID 17000610) has the molecular formula C26H36N2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 1-dodecyl-2-(2-methylphenyl)benzimidazole.

Molecular Properties

Compound Name1-dodecyl-2-(2-methylphenyl)benzimidazole
PubChem CID17000610
Molecular FormulaC26H36N2
Molecular Weight376.59 g/mol
Exact Mass376.29
IUPAC Name1-dodecyl-2-(2-methylphenyl)benzimidazole
SMILESCCCCCCCCCCCCn1c(-c2ccccc2C)nc2ccccc21
InChIInChI=1S/C26H36N2/c1-3-4-5-6-7-8-9-10-11-16-21-28-25-20-15-14-19-24(25)27-26(28)23-18-13-12-17-22(23)2/h12-15,17-20H,3-11,16,21H2,1-2H3
InChIKeyVXQRCWIJZJVCKL-UHFFFAOYSA-N
XLogP7.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 57.93
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

2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773
2-[3,5-bis(1-decylbenzimidazol-2-yl)phenyl]-1-decylbenzimidazole
CID 102531556
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
1-hexyl-2-(2-methylphenyl)-6-propylsulfanylbenzimidazole
CID 134084052
1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole
CID 17000704
1-hexyl-2-[6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;iron(2+);dichloride
CID 70011887
2-(furan-2-yl)-1-hexylbenzimidazole
CID 17000135
2-(4-bromophenyl)-1-decylbenzimidazole
CID 17001133
2-(3-methylphenyl)-1-octadecylbenzimidazole
CID 17000753
2-(4-bromophenyl)-1-undecylbenzimidazole
CID 17001134
2-(4-fluorophenyl)-1-hexadecylbenzimidazole
CID 19243176
2-(4-fluorophenyl)-1-hexylbenzimidazole
CID 19243183

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-2-(2-methylphenyl)benzimidazole?
The IUPAC name of 1-dodecyl-2-(2-methylphenyl)benzimidazole (CID 17000610) is 1-dodecyl-2-(2-methylphenyl)benzimidazole.
What is the SMILES notation for 1-dodecyl-2-(2-methylphenyl)benzimidazole?
The canonical SMILES for 1-dodecyl-2-(2-methylphenyl)benzimidazole is CCCCCCCCCCCCn1c(-c2ccccc2C)nc2ccccc21.
What is the InChIKey of 1-dodecyl-2-(2-methylphenyl)benzimidazole?
The InChIKey is VXQRCWIJZJVCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2/c1-3-4-5-6-7-8-9-10-11-16-21-28-25-20-15-14-19-24(25)27-26(28)23-18-13-12-17-22(23)2/h12-15,17-20H,3-11,16,21H2,1-2H3.
What are the key properties of 1-dodecyl-2-(2-methylphenyl)benzimidazole?
1-dodecyl-2-(2-methylphenyl)benzimidazole has a molecular weight of 376.59 g/mol, XLogP of 7.93, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2-(2-methylphenyl)benzimidazole is sourced from PubChem (CID 17000610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).