1-(4-methoxyphenyl)benzimidazole

C14H12N2O — CID 743942

IUPAC1-(4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C14H12N2O/c1-17-12-8-6-11(7-9-12)16-10-15-13-4-2-3-5-14(13)16/h2-10H,1H3
InChIKeyKLXBTJMLKGVJTR-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.03
Rot. Bonds2

About 1-(4-methoxyphenyl)benzimidazole

1-(4-methoxyphenyl)benzimidazole (PubChem CID 743942) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)benzimidazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)benzimidazole
PubChem CID743942
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name1-(4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C14H12N2O/c1-17-12-8-6-11(7-9-12)16-10-15-13-4-2-3-5-14(13)16/h2-10H,1H3
InChIKeyKLXBTJMLKGVJTR-UHFFFAOYSA-N
XLogP3.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)benzimidazole?
The IUPAC name of 1-(4-methoxyphenyl)benzimidazole (CID 743942) is 1-(4-methoxyphenyl)benzimidazole.
What is the SMILES notation for 1-(4-methoxyphenyl)benzimidazole?
The canonical SMILES for 1-(4-methoxyphenyl)benzimidazole is COc1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)benzimidazole?
The InChIKey is KLXBTJMLKGVJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-17-12-8-6-11(7-9-12)16-10-15-13-4-2-3-5-14(13)16/h2-10H,1H3.
What are the key properties of 1-(4-methoxyphenyl)benzimidazole?
1-(4-methoxyphenyl)benzimidazole has a molecular weight of 224.26 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)benzimidazole is sourced from PubChem (CID 743942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).