2-(4-bromophenyl)-1-decylbenzimidazole

C23H29BrN2 — CID 17001133

IUPAC2-(4-bromophenyl)-1-decylbenzimidazole
SMILESCCCCCCCCCCn1c(-c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C23H29BrN2/c1-2-3-4-5-6-7-8-11-18-26-22-13-10-9-12-21(22)25-23(26)19-14-16-20(24)17-15-19/h9-10,12-17H,2-8,11,18H2,1H3
InChIKeyUKLMBYVLIULVRV-UHFFFAOYSA-N
MW413.40 g/mol
LogP7.61
Rot. Bonds10

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

2-(4-bromophenyl)-1-decylbenzimidazole (PubChem CID 17001133) has the molecular formula C23H29BrN2 and a molecular weight of 413.40 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-decylbenzimidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-decylbenzimidazole
PubChem CID17001133
Molecular FormulaC23H29BrN2
Molecular Weight413.40 g/mol
Exact Mass412.15
IUPAC Name2-(4-bromophenyl)-1-decylbenzimidazole
SMILESCCCCCCCCCCn1c(-c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C23H29BrN2/c1-2-3-4-5-6-7-8-11-18-26-22-13-10-9-12-21(22)25-23(26)19-14-16-20(24)17-15-19/h9-10,12-17H,2-8,11,18H2,1H3
InChIKeyUKLMBYVLIULVRV-UHFFFAOYSA-N
XLogP7.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.40
LogP ≤ 57.61
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-undecylbenzimidazole
CID 17001134
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-decylbenzimidazole?
The IUPAC name of 2-(4-bromophenyl)-1-decylbenzimidazole (CID 17001133) is 2-(4-bromophenyl)-1-decylbenzimidazole.
What is the SMILES notation for 2-(4-bromophenyl)-1-decylbenzimidazole?
The canonical SMILES for 2-(4-bromophenyl)-1-decylbenzimidazole is CCCCCCCCCCn1c(-c2ccc(Br)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-bromophenyl)-1-decylbenzimidazole?
The InChIKey is UKLMBYVLIULVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2/c1-2-3-4-5-6-7-8-11-18-26-22-13-10-9-12-21(22)25-23(26)19-14-16-20(24)17-15-19/h9-10,12-17H,2-8,11,18H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-decylbenzimidazole?
2-(4-bromophenyl)-1-decylbenzimidazole has a molecular weight of 413.40 g/mol, XLogP of 7.61, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-decylbenzimidazole is sourced from PubChem (CID 17001133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).