2-(4-bromophenyl)-1-undecylbenzimidazole

C24H31BrN2 — CID 17001134

IUPAC2-(4-bromophenyl)-1-undecylbenzimidazole
SMILESCCCCCCCCCCCn1c(-c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C24H31BrN2/c1-2-3-4-5-6-7-8-9-12-19-27-23-14-11-10-13-22(23)26-24(27)20-15-17-21(25)18-16-20/h10-11,13-18H,2-9,12,19H2,1H3
InChIKeyZOJANXTXUZMSHG-UHFFFAOYSA-N
MW427.43 g/mol
LogP8.00
Rot. Bonds11

About 2-(4-bromophenyl)-1-undecylbenzimidazole

2-(4-bromophenyl)-1-undecylbenzimidazole (PubChem CID 17001134) has the molecular formula C24H31BrN2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-undecylbenzimidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-undecylbenzimidazole
PubChem CID17001134
Molecular FormulaC24H31BrN2
Molecular Weight427.43 g/mol
Exact Mass426.17
IUPAC Name2-(4-bromophenyl)-1-undecylbenzimidazole
SMILESCCCCCCCCCCCn1c(-c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C24H31BrN2/c1-2-3-4-5-6-7-8-9-12-19-27-23-14-11-10-13-22(23)26-24(27)20-15-17-21(25)18-16-20/h10-11,13-18H,2-9,12,19H2,1H3
InChIKeyZOJANXTXUZMSHG-UHFFFAOYSA-N
XLogP8.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.43
LogP ≤ 58.00
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-(4-bromophenyl)-1-decylbenzimidazole
CID 17001133
2-(4-bromophenyl)-1-pentylbenzimidazole
CID 17001128
2-(4-fluorophenyl)-1-hexadecylbenzimidazole
CID 19243176
2-(4-fluorophenyl)-1-hexylbenzimidazole
CID 19243183
4-(1-pentylbenzimidazol-2-yl)aniline
CID 82024726
2-[3,5-bis(1-decylbenzimidazol-2-yl)phenyl]-1-decylbenzimidazole
CID 102531556
2-(4-fluorophenyl)-1-pentylbenzimidazole
CID 19243184
2-(4-tert-butylphenyl)-1-pentylbenzimidazole
CID 84571437
2-(3-methylphenyl)-1-octadecylbenzimidazole
CID 17000753
1-hexyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole
CID 134083950
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
2-pyridin-3-yl-1-undecylbenzimidazole
CID 18878842

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-undecylbenzimidazole?
The IUPAC name of 2-(4-bromophenyl)-1-undecylbenzimidazole (CID 17001134) is 2-(4-bromophenyl)-1-undecylbenzimidazole.
What is the SMILES notation for 2-(4-bromophenyl)-1-undecylbenzimidazole?
The canonical SMILES for 2-(4-bromophenyl)-1-undecylbenzimidazole is CCCCCCCCCCCn1c(-c2ccc(Br)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-bromophenyl)-1-undecylbenzimidazole?
The InChIKey is ZOJANXTXUZMSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31BrN2/c1-2-3-4-5-6-7-8-9-12-19-27-23-14-11-10-13-22(23)26-24(27)20-15-17-21(25)18-16-20/h10-11,13-18H,2-9,12,19H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-undecylbenzimidazole?
2-(4-bromophenyl)-1-undecylbenzimidazole has a molecular weight of 427.43 g/mol, XLogP of 8.00, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-undecylbenzimidazole is sourced from PubChem (CID 17001134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).