1-phenyl-5-propoxybenzimidazole

C16H16N2O — CID 5328498

IUPAC1-phenyl-5-propoxybenzimidazole
SMILESCCCOc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C16H16N2O/c1-2-10-19-14-8-9-16-15(11-14)17-12-18(16)13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3
InChIKeyHZMHWEPYSPUYHD-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.81
Rot. Bonds4

About 1-phenyl-5-propoxybenzimidazole

1-phenyl-5-propoxybenzimidazole (PubChem CID 5328498) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-phenyl-5-propoxybenzimidazole.

Molecular Properties

Compound Name1-phenyl-5-propoxybenzimidazole
PubChem CID5328498
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-phenyl-5-propoxybenzimidazole
SMILESCCCOc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C16H16N2O/c1-2-10-19-14-8-9-16-15(11-14)17-12-18(16)13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3
InChIKeyHZMHWEPYSPUYHD-UHFFFAOYSA-N
XLogP3.81
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-propoxybenzimidazole?
The IUPAC name of 1-phenyl-5-propoxybenzimidazole (CID 5328498) is 1-phenyl-5-propoxybenzimidazole.
What is the SMILES notation for 1-phenyl-5-propoxybenzimidazole?
The canonical SMILES for 1-phenyl-5-propoxybenzimidazole is CCCOc1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of 1-phenyl-5-propoxybenzimidazole?
The InChIKey is HZMHWEPYSPUYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-10-19-14-8-9-16-15(11-14)17-12-18(16)13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3.
What are the key properties of 1-phenyl-5-propoxybenzimidazole?
1-phenyl-5-propoxybenzimidazole has a molecular weight of 252.32 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-propoxybenzimidazole is sourced from PubChem (CID 5328498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).