2-(4-methoxyphenyl)-1-propylbenzimidazole

C17H18N2O — CID 748266

IUPAC2-(4-methoxyphenyl)-1-propylbenzimidazole
SMILESCCCn1c(-c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C17H18N2O/c1-3-12-19-16-7-5-4-6-15(16)18-17(19)13-8-10-14(20-2)11-9-13/h4-11H,3,12H2,1-2H3
InChIKeyRJNGRZWRDTXSAR-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.12
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-propylbenzimidazole

2-(4-methoxyphenyl)-1-propylbenzimidazole (PubChem CID 748266) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-propylbenzimidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-propylbenzimidazole
PubChem CID748266
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(4-methoxyphenyl)-1-propylbenzimidazole
SMILESCCCn1c(-c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C17H18N2O/c1-3-12-19-16-7-5-4-6-15(16)18-17(19)13-8-10-14(20-2)11-9-13/h4-11H,3,12H2,1-2H3
InChIKeyRJNGRZWRDTXSAR-UHFFFAOYSA-N
XLogP4.12
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-propylbenzimidazole?
The IUPAC name of 2-(4-methoxyphenyl)-1-propylbenzimidazole (CID 748266) is 2-(4-methoxyphenyl)-1-propylbenzimidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-propylbenzimidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-propylbenzimidazole is CCCn1c(-c2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-methoxyphenyl)-1-propylbenzimidazole?
The InChIKey is RJNGRZWRDTXSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-3-12-19-16-7-5-4-6-15(16)18-17(19)13-8-10-14(20-2)11-9-13/h4-11H,3,12H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-propylbenzimidazole?
2-(4-methoxyphenyl)-1-propylbenzimidazole has a molecular weight of 266.34 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-propylbenzimidazole is sourced from PubChem (CID 748266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).