5-methoxy-6-methyl-1-phenylbenzimidazole

C15H14N2O — CID 5328528

IUPAC5-methoxy-6-methyl-1-phenylbenzimidazole
SMILESCOc1cc2ncn(-c3ccccc3)c2cc1C
InChIInChI=1S/C15H14N2O/c1-11-8-14-13(9-15(11)18-2)16-10-17(14)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyWPXHLCRXNRVXOL-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.34
Rot. Bonds2

About 5-methoxy-6-methyl-1-phenylbenzimidazole

5-methoxy-6-methyl-1-phenylbenzimidazole (PubChem CID 5328528) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-methoxy-6-methyl-1-phenylbenzimidazole.

Molecular Properties

Compound Name5-methoxy-6-methyl-1-phenylbenzimidazole
PubChem CID5328528
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name5-methoxy-6-methyl-1-phenylbenzimidazole
SMILESCOc1cc2ncn(-c3ccccc3)c2cc1C
InChIInChI=1S/C15H14N2O/c1-11-8-14-13(9-15(11)18-2)16-10-17(14)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyWPXHLCRXNRVXOL-UHFFFAOYSA-N
XLogP3.34
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-methyl-1-phenylbenzimidazole?
The IUPAC name of 5-methoxy-6-methyl-1-phenylbenzimidazole (CID 5328528) is 5-methoxy-6-methyl-1-phenylbenzimidazole.
What is the SMILES notation for 5-methoxy-6-methyl-1-phenylbenzimidazole?
The canonical SMILES for 5-methoxy-6-methyl-1-phenylbenzimidazole is COc1cc2ncn(-c3ccccc3)c2cc1C.
What is the InChIKey of 5-methoxy-6-methyl-1-phenylbenzimidazole?
The InChIKey is WPXHLCRXNRVXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11-8-14-13(9-15(11)18-2)16-10-17(14)12-6-4-3-5-7-12/h3-10H,1-2H3.
What are the key properties of 5-methoxy-6-methyl-1-phenylbenzimidazole?
5-methoxy-6-methyl-1-phenylbenzimidazole has a molecular weight of 238.29 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-methyl-1-phenylbenzimidazole is sourced from PubChem (CID 5328528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).