5,6-dimethoxy-1-phenylbenzimidazole

C15H14N2O2 — CID 5328525

IUPAC5,6-dimethoxy-1-phenylbenzimidazole
SMILESCOc1cc2ncn(-c3ccccc3)c2cc1OC
InChIInChI=1S/C15H14N2O2/c1-18-14-8-12-13(9-15(14)19-2)17(10-16-12)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyDQTIAPJPNNWWDC-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.04
Rot. Bonds3

About 5,6-dimethoxy-1-phenylbenzimidazole

5,6-dimethoxy-1-phenylbenzimidazole (PubChem CID 5328525) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5,6-dimethoxy-1-phenylbenzimidazole.

Molecular Properties

Compound Name5,6-dimethoxy-1-phenylbenzimidazole
PubChem CID5328525
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name5,6-dimethoxy-1-phenylbenzimidazole
SMILESCOc1cc2ncn(-c3ccccc3)c2cc1OC
InChIInChI=1S/C15H14N2O2/c1-18-14-8-12-13(9-15(14)19-2)17(10-16-12)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyDQTIAPJPNNWWDC-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 5,6-dimethoxy-1-phenylbenzimidazole?
The IUPAC name of 5,6-dimethoxy-1-phenylbenzimidazole (CID 5328525) is 5,6-dimethoxy-1-phenylbenzimidazole.
What is the SMILES notation for 5,6-dimethoxy-1-phenylbenzimidazole?
The canonical SMILES for 5,6-dimethoxy-1-phenylbenzimidazole is COc1cc2ncn(-c3ccccc3)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-1-phenylbenzimidazole?
The InChIKey is DQTIAPJPNNWWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-18-14-8-12-13(9-15(14)19-2)17(10-16-12)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 5,6-dimethoxy-1-phenylbenzimidazole?
5,6-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 5,6-dimethoxy-1-phenylbenzimidazole is sourced from PubChem (CID 5328525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).