4,5-dimethoxy-1-phenylbenzimidazole

C15H14N2O2 — CID 5328520

IUPAC4,5-dimethoxy-1-phenylbenzimidazole
SMILESCOc1ccc2c(ncn2-c2ccccc2)c1OC
InChIInChI=1S/C15H14N2O2/c1-18-13-9-8-12-14(15(13)19-2)16-10-17(12)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyJRWVZOGXZFWDAG-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.04
Rot. Bonds3

About 4,5-dimethoxy-1-phenylbenzimidazole

4,5-dimethoxy-1-phenylbenzimidazole (PubChem CID 5328520) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4,5-dimethoxy-1-phenylbenzimidazole.

Molecular Properties

Compound Name4,5-dimethoxy-1-phenylbenzimidazole
PubChem CID5328520
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4,5-dimethoxy-1-phenylbenzimidazole
SMILESCOc1ccc2c(ncn2-c2ccccc2)c1OC
InChIInChI=1S/C15H14N2O2/c1-18-13-9-8-12-14(15(13)19-2)16-10-17(12)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyJRWVZOGXZFWDAG-UHFFFAOYSA-N
XLogP3.04
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-1-phenylbenzimidazole?
The IUPAC name of 4,5-dimethoxy-1-phenylbenzimidazole (CID 5328520) is 4,5-dimethoxy-1-phenylbenzimidazole.
What is the SMILES notation for 4,5-dimethoxy-1-phenylbenzimidazole?
The canonical SMILES for 4,5-dimethoxy-1-phenylbenzimidazole is COc1ccc2c(ncn2-c2ccccc2)c1OC.
What is the InChIKey of 4,5-dimethoxy-1-phenylbenzimidazole?
The InChIKey is JRWVZOGXZFWDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-18-13-9-8-12-14(15(13)19-2)16-10-17(12)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 4,5-dimethoxy-1-phenylbenzimidazole?
4,5-dimethoxy-1-phenylbenzimidazole has a molecular weight of 254.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-1-phenylbenzimidazole is sourced from PubChem (CID 5328520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).