1-benzyl-5-methoxybenzimidazole

C15H14N2O — CID 10900689

IUPAC1-benzyl-5-methoxybenzimidazole
SMILESCOc1ccc2c(c1)ncn2Cc1ccccc1
InChIInChI=1S/C15H14N2O/c1-18-13-7-8-15-14(9-13)16-11-17(15)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3
InChIKeyNYIKCGZRZMYVKV-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.09
Rot. Bonds3

About 1-benzyl-5-methoxybenzimidazole

1-benzyl-5-methoxybenzimidazole (PubChem CID 10900689) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-benzyl-5-methoxybenzimidazole.

Molecular Properties

Compound Name1-benzyl-5-methoxybenzimidazole
PubChem CID10900689
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-benzyl-5-methoxybenzimidazole
SMILESCOc1ccc2c(c1)ncn2Cc1ccccc1
InChIInChI=1S/C15H14N2O/c1-18-13-7-8-15-14(9-13)16-11-17(15)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3
InChIKeyNYIKCGZRZMYVKV-UHFFFAOYSA-N
XLogP3.09
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methoxybenzimidazole?
The IUPAC name of 1-benzyl-5-methoxybenzimidazole (CID 10900689) is 1-benzyl-5-methoxybenzimidazole.
What is the SMILES notation for 1-benzyl-5-methoxybenzimidazole?
The canonical SMILES for 1-benzyl-5-methoxybenzimidazole is COc1ccc2c(c1)ncn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-methoxybenzimidazole?
The InChIKey is NYIKCGZRZMYVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-18-13-7-8-15-14(9-13)16-11-17(15)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3.
What are the key properties of 1-benzyl-5-methoxybenzimidazole?
1-benzyl-5-methoxybenzimidazole has a molecular weight of 238.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methoxybenzimidazole is sourced from PubChem (CID 10900689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).