2-methyl-1-(2-phenoxyethyl)benzimidazole

C16H16N2O — CID 2851825

IUPAC2-methyl-1-(2-phenoxyethyl)benzimidazole
SMILESCc1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C16H16N2O/c1-13-17-15-9-5-6-10-16(15)18(13)11-12-19-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKeyVVTVADLSZISYBN-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.42
Rot. Bonds4

About 2-methyl-1-(2-phenoxyethyl)benzimidazole

2-methyl-1-(2-phenoxyethyl)benzimidazole (PubChem CID 2851825) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-methyl-1-(2-phenoxyethyl)benzimidazole.

Molecular Properties

Compound Name2-methyl-1-(2-phenoxyethyl)benzimidazole
PubChem CID2851825
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-methyl-1-(2-phenoxyethyl)benzimidazole
SMILESCc1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C16H16N2O/c1-13-17-15-9-5-6-10-16(15)18(13)11-12-19-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKeyVVTVADLSZISYBN-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Etodesnitazene
CID 149797386
Metodesnitazene
CID 26412
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
1-Ethyl-2-(2-methoxy-phenoxymethyl)-1H-benzoimidazole
CID 687911
Pyrimido(1,2-a)benzimidazole, 1,4-dihydro-4-(4-methoxyphenyl)-2-methyl-
CID 3074967
2-[(4-methylphenoxy)methyl]-1H-benzimidazole
CID 699923
N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 3159995
6-Methoxy-1-phenyl-1H-benzimidazole
CID 652633
1H-Benzimidazole, 5-methoxy-1-phenyl-
CID 5328466
5-ethoxy-1-phenyl-1H-1,3-benzodiazole
CID 5328497
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenoxyethyl)benzimidazole?
The IUPAC name of 2-methyl-1-(2-phenoxyethyl)benzimidazole (CID 2851825) is 2-methyl-1-(2-phenoxyethyl)benzimidazole.
What is the SMILES notation for 2-methyl-1-(2-phenoxyethyl)benzimidazole?
The canonical SMILES for 2-methyl-1-(2-phenoxyethyl)benzimidazole is Cc1nc2ccccc2n1CCOc1ccccc1.
What is the InChIKey of 2-methyl-1-(2-phenoxyethyl)benzimidazole?
The InChIKey is VVTVADLSZISYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-13-17-15-9-5-6-10-16(15)18(13)11-12-19-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3.
What are the key properties of 2-methyl-1-(2-phenoxyethyl)benzimidazole?
2-methyl-1-(2-phenoxyethyl)benzimidazole has a molecular weight of 252.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenoxyethyl)benzimidazole is sourced from PubChem (CID 2851825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).