1-phenyl-2-propoxybenzimidazole

C16H16N2O — CID 67816622

IUPAC1-phenyl-2-propoxybenzimidazole
SMILESCCCOc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C16H16N2O/c1-2-12-19-16-17-14-10-6-7-11-15(14)18(16)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyQGXRWSUTGDNESP-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.81
Rot. Bonds4

About 1-phenyl-2-propoxybenzimidazole

1-phenyl-2-propoxybenzimidazole (PubChem CID 67816622) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-phenyl-2-propoxybenzimidazole.

Molecular Properties

Compound Name1-phenyl-2-propoxybenzimidazole
PubChem CID67816622
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-phenyl-2-propoxybenzimidazole
SMILESCCCOc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C16H16N2O/c1-2-12-19-16-17-14-10-6-7-11-15(14)18(16)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyQGXRWSUTGDNESP-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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Related Compounds

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CID 20535846
3-oxo-4-(4-propoxyphenyl)quinoxaline-2-carboxylic acid
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1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
2-ethoxy-3-phenylquinazolin-4-one
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1-phenyl-2-tridecylbenzimidazole
CID 24821367
1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497
2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine
CID 43470482
2-(1-phenylbenzimidazol-2-yl)pentan-2-amine
CID 43645133
2-chloro-1-phenylbenzimidazole
CID 12675133
2-bromo-1-phenylbenzimidazole
CID 84810012
ethyl 2-(1-phenylbenzimidazol-2-yl)prop-2-enoate
CID 54081017
2-pentoxy-1-prop-1-en-2-ylbenzimidazole
CID 142654038

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-propoxybenzimidazole?
The IUPAC name of 1-phenyl-2-propoxybenzimidazole (CID 67816622) is 1-phenyl-2-propoxybenzimidazole.
What is the SMILES notation for 1-phenyl-2-propoxybenzimidazole?
The canonical SMILES for 1-phenyl-2-propoxybenzimidazole is CCCOc1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 1-phenyl-2-propoxybenzimidazole?
The InChIKey is QGXRWSUTGDNESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-12-19-16-17-14-10-6-7-11-15(14)18(16)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3.
What are the key properties of 1-phenyl-2-propoxybenzimidazole?
1-phenyl-2-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-2-propoxybenzimidazole is sourced from PubChem (CID 67816622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).