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

C21H20N2O2 — CID 59023647

IUPAC1,3-bis(3-methoxyphenyl)-2H-benzimidazole
SMILESCOc1cccc(N2CN(c3cccc(OC)c3)c3ccccc32)c1
InChIInChI=1S/C21H20N2O2/c1-24-18-9-5-7-16(13-18)22-15-23(21-12-4-3-11-20(21)22)17-8-6-10-19(14-17)25-2/h3-14H,15H2,1-2H3
InChIKeyDFPOUMBWPHJDAL-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.95
Rot. Bonds4

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

1,3-bis(3-methoxyphenyl)-2H-benzimidazole (PubChem CID 59023647) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1,3-bis(3-methoxyphenyl)-2H-benzimidazole.

Molecular Properties

Compound Name1,3-bis(3-methoxyphenyl)-2H-benzimidazole
PubChem CID59023647
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1,3-bis(3-methoxyphenyl)-2H-benzimidazole
SMILESCOc1cccc(N2CN(c3cccc(OC)c3)c3ccccc32)c1
InChIInChI=1S/C21H20N2O2/c1-24-18-9-5-7-16(13-18)22-15-23(21-12-4-3-11-20(21)22)17-8-6-10-19(14-17)25-2/h3-14H,15H2,1-2H3
InChIKeyDFPOUMBWPHJDAL-UHFFFAOYSA-N
XLogP4.95
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-methoxyphenyl)-2H-benzimidazole?
The IUPAC name of 1,3-bis(3-methoxyphenyl)-2H-benzimidazole (CID 59023647) is 1,3-bis(3-methoxyphenyl)-2H-benzimidazole.
What is the SMILES notation for 1,3-bis(3-methoxyphenyl)-2H-benzimidazole?
The canonical SMILES for 1,3-bis(3-methoxyphenyl)-2H-benzimidazole is COc1cccc(N2CN(c3cccc(OC)c3)c3ccccc32)c1.
What is the InChIKey of 1,3-bis(3-methoxyphenyl)-2H-benzimidazole?
The InChIKey is DFPOUMBWPHJDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-24-18-9-5-7-16(13-18)22-15-23(21-12-4-3-11-20(21)22)17-8-6-10-19(14-17)25-2/h3-14H,15H2,1-2H3.
What are the key properties of 1,3-bis(3-methoxyphenyl)-2H-benzimidazole?
1,3-bis(3-methoxyphenyl)-2H-benzimidazole has a molecular weight of 332.40 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-methoxyphenyl)-2H-benzimidazole is sourced from PubChem (CID 59023647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).