1-(2-methoxyethyl)-5-phenylbenzimidazole

C16H16N2O — CID 141375296

IUPAC1-(2-methoxyethyl)-5-phenylbenzimidazole
SMILESCOCCn1cnc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C16H16N2O/c1-19-10-9-18-12-17-15-11-14(7-8-16(15)18)13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3
InChIKeyUHSJZZCQODDCEI-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.35
Rot. Bonds4

About 1-(2-methoxyethyl)-5-phenylbenzimidazole

1-(2-methoxyethyl)-5-phenylbenzimidazole (PubChem CID 141375296) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-phenylbenzimidazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-phenylbenzimidazole
PubChem CID141375296
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-(2-methoxyethyl)-5-phenylbenzimidazole
SMILESCOCCn1cnc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C16H16N2O/c1-19-10-9-18-12-17-15-11-14(7-8-16(15)18)13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3
InChIKeyUHSJZZCQODDCEI-UHFFFAOYSA-N
XLogP3.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-phenylbenzimidazole?
The IUPAC name of 1-(2-methoxyethyl)-5-phenylbenzimidazole (CID 141375296) is 1-(2-methoxyethyl)-5-phenylbenzimidazole.
What is the SMILES notation for 1-(2-methoxyethyl)-5-phenylbenzimidazole?
The canonical SMILES for 1-(2-methoxyethyl)-5-phenylbenzimidazole is COCCn1cnc2cc(-c3ccccc3)ccc21.
What is the InChIKey of 1-(2-methoxyethyl)-5-phenylbenzimidazole?
The InChIKey is UHSJZZCQODDCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-19-10-9-18-12-17-15-11-14(7-8-16(15)18)13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-5-phenylbenzimidazole?
1-(2-methoxyethyl)-5-phenylbenzimidazole has a molecular weight of 252.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-phenylbenzimidazole is sourced from PubChem (CID 141375296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).