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

C28H24N4O2 — CID 139070642

IUPAC2-(2-methoxyphenyl)-1H-benzimidazole
SMILESCOc1ccccc1-c1nc2ccccc2[nH]1.COc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/2C14H12N2O/c2*1-17-13-9-5-2-6-10(13)14-15-11-7-3-4-8-12(11)16-14/h2*2-9H,1H3,(H,15,16)
InChIKeyFZBMLQKQPDXMMZ-UHFFFAOYSA-N
MW448.53 g/mol
LogP6.48
Rot. Bonds4

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

2-(2-methoxyphenyl)-1H-benzimidazole (PubChem CID 139070642) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1H-benzimidazole
PubChem CID139070642
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC Name2-(2-methoxyphenyl)-1H-benzimidazole
SMILESCOc1ccccc1-c1nc2ccccc2[nH]1.COc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/2C14H12N2O/c2*1-17-13-9-5-2-6-10(13)14-15-11-7-3-4-8-12(11)16-14/h2*2-9H,1H3,(H,15,16)
InChIKeyFZBMLQKQPDXMMZ-UHFFFAOYSA-N
XLogP6.48
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1H-benzimidazole?
The IUPAC name of 2-(2-methoxyphenyl)-1H-benzimidazole (CID 139070642) is 2-(2-methoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-methoxyphenyl)-1H-benzimidazole is COc1ccccc1-c1nc2ccccc2[nH]1.COc1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(2-methoxyphenyl)-1H-benzimidazole?
The InChIKey is FZBMLQKQPDXMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12N2O/c2*1-17-13-9-5-2-6-10(13)14-15-11-7-3-4-8-12(11)16-14/h2*2-9H,1H3,(H,15,16).
What are the key properties of 2-(2-methoxyphenyl)-1H-benzimidazole?
2-(2-methoxyphenyl)-1H-benzimidazole has a molecular weight of 448.53 g/mol, XLogP of 6.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 139070642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).