1-phenyl-2-tridecylbenzimidazole

C26H36N2 — CID 24821367

IUPAC1-phenyl-2-tridecylbenzimidazole
SMILESCCCCCCCCCCCCCc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C26H36N2/c1-2-3-4-5-6-7-8-9-10-11-15-22-26-27-24-20-16-17-21-25(24)28(26)23-18-13-12-14-19-23/h12-14,16-21H,2-11,15,22H2,1H3
InChIKeyUTRLUZCQALCILT-UHFFFAOYSA-N
MW376.59 g/mol
LogP7.88
Rot. Bonds13

About 1-phenyl-2-tridecylbenzimidazole

1-phenyl-2-tridecylbenzimidazole (PubChem CID 24821367) has the molecular formula C26H36N2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 1-phenyl-2-tridecylbenzimidazole.

Molecular Properties

Compound Name1-phenyl-2-tridecylbenzimidazole
PubChem CID24821367
Molecular FormulaC26H36N2
Molecular Weight376.59 g/mol
Exact Mass376.29
IUPAC Name1-phenyl-2-tridecylbenzimidazole
SMILESCCCCCCCCCCCCCc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C26H36N2/c1-2-3-4-5-6-7-8-9-10-11-15-22-26-27-24-20-16-17-21-25(24)28(26)23-18-13-12-14-19-23/h12-14,16-21H,2-11,15,22H2,1H3
InChIKeyUTRLUZCQALCILT-UHFFFAOYSA-N
XLogP7.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 57.88
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

6-(1-phenylbenzimidazol-2-yl)hexanoic acid
CID 18979139
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
1-ethyl-2-pentylbenzimidazole
CID 3463966
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
ethyl 4-(2-heptadecylbenzimidazol-1-yl)thiophene-2-carboxylate
CID 155230937
ethyl 4-(2-hexylbenzimidazol-1-yl)thiophene-2-carboxylate
CID 155230917
ethyl 4-(2-tridecylbenzimidazol-1-yl)thiophene-2-carboxylate
CID 155230889
10-(1-butylbenzimidazol-2-yl)decan-1-amine
CID 92629122
2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride
CID 53407605
3-(2-nonylbenzimidazol-1-yl)propanenitrile
CID 3414189
3-(chloromethyl)-5-hexyl-4-phenyl-1,2,4-triazole
CID 114754349

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-tridecylbenzimidazole?
The IUPAC name of 1-phenyl-2-tridecylbenzimidazole (CID 24821367) is 1-phenyl-2-tridecylbenzimidazole.
What is the SMILES notation for 1-phenyl-2-tridecylbenzimidazole?
The canonical SMILES for 1-phenyl-2-tridecylbenzimidazole is CCCCCCCCCCCCCc1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 1-phenyl-2-tridecylbenzimidazole?
The InChIKey is UTRLUZCQALCILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2/c1-2-3-4-5-6-7-8-9-10-11-15-22-26-27-24-20-16-17-21-25(24)28(26)23-18-13-12-14-19-23/h12-14,16-21H,2-11,15,22H2,1H3.
What are the key properties of 1-phenyl-2-tridecylbenzimidazole?
1-phenyl-2-tridecylbenzimidazole has a molecular weight of 376.59 g/mol, XLogP of 7.88, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-tridecylbenzimidazole is sourced from PubChem (CID 24821367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).