2-pyridin-3-yl-1-undecylbenzimidazole

C23H31N3 — CID 18878842

IUPAC2-pyridin-3-yl-1-undecylbenzimidazole
SMILESCCCCCCCCCCCn1c(-c2cccnc2)nc2ccccc21
InChIInChI=1S/C23H31N3/c1-2-3-4-5-6-7-8-9-12-18-26-22-16-11-10-15-21(22)25-23(26)20-14-13-17-24-19-20/h10-11,13-17,19H,2-9,12,18H2,1H3
InChIKeyTXFXBGMFFJOVGX-UHFFFAOYSA-N
MW349.52 g/mol
LogP6.63
Rot. Bonds11

About 2-pyridin-3-yl-1-undecylbenzimidazole

2-pyridin-3-yl-1-undecylbenzimidazole (PubChem CID 18878842) has the molecular formula C23H31N3 and a molecular weight of 349.52 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-undecylbenzimidazole.

Molecular Properties

Compound Name2-pyridin-3-yl-1-undecylbenzimidazole
PubChem CID18878842
Molecular FormulaC23H31N3
Molecular Weight349.52 g/mol
Exact Mass349.25
IUPAC Name2-pyridin-3-yl-1-undecylbenzimidazole
SMILESCCCCCCCCCCCn1c(-c2cccnc2)nc2ccccc21
InChIInChI=1S/C23H31N3/c1-2-3-4-5-6-7-8-9-12-18-26-22-16-11-10-15-21(22)25-23(26)20-14-13-17-24-19-20/h10-11,13-17,19H,2-9,12,18H2,1H3
InChIKeyTXFXBGMFFJOVGX-UHFFFAOYSA-N
XLogP6.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-undecylbenzimidazole?
The IUPAC name of 2-pyridin-3-yl-1-undecylbenzimidazole (CID 18878842) is 2-pyridin-3-yl-1-undecylbenzimidazole.
What is the SMILES notation for 2-pyridin-3-yl-1-undecylbenzimidazole?
The canonical SMILES for 2-pyridin-3-yl-1-undecylbenzimidazole is CCCCCCCCCCCn1c(-c2cccnc2)nc2ccccc21.
What is the InChIKey of 2-pyridin-3-yl-1-undecylbenzimidazole?
The InChIKey is TXFXBGMFFJOVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3/c1-2-3-4-5-6-7-8-9-12-18-26-22-16-11-10-15-21(22)25-23(26)20-14-13-17-24-19-20/h10-11,13-17,19H,2-9,12,18H2,1H3.
What are the key properties of 2-pyridin-3-yl-1-undecylbenzimidazole?
2-pyridin-3-yl-1-undecylbenzimidazole has a molecular weight of 349.52 g/mol, XLogP of 6.63, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-undecylbenzimidazole is sourced from PubChem (CID 18878842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).