2-(3-methoxyphenyl)-1H-benzimidazole

C14H12N2O — CID 794634

IUPAC2-(3-methoxyphenyl)-1H-benzimidazole
SMILESCOc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H12N2O/c1-17-11-6-4-5-10(9-11)14-15-12-7-2-3-8-13(12)16-14/h2-9H,1H3,(H,15,16)
InChIKeyXAMZPXRUPPCGFJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.24
Rot. Bonds2

About 2-(3-methoxyphenyl)-1H-benzimidazole

2-(3-methoxyphenyl)-1H-benzimidazole (PubChem CID 794634) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1H-benzimidazole
PubChem CID794634
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-(3-methoxyphenyl)-1H-benzimidazole
SMILESCOc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H12N2O/c1-17-11-6-4-5-10(9-11)14-15-12-7-2-3-8-13(12)16-14/h2-9H,1H3,(H,15,16)
InChIKeyXAMZPXRUPPCGFJ-UHFFFAOYSA-N
XLogP3.24
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1H-benzimidazole?
The IUPAC name of 2-(3-methoxyphenyl)-1H-benzimidazole (CID 794634) is 2-(3-methoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(3-methoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(3-methoxyphenyl)-1H-benzimidazole is COc1cccc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1H-benzimidazole?
The InChIKey is XAMZPXRUPPCGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-17-11-6-4-5-10(9-11)14-15-12-7-2-3-8-13(12)16-14/h2-9H,1H3,(H,15,16).
What are the key properties of 2-(3-methoxyphenyl)-1H-benzimidazole?
2-(3-methoxyphenyl)-1H-benzimidazole has a molecular weight of 224.26 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 794634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).