2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole

C16H16N2O — CID 60646509

IUPAC2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole
SMILESCCOc1ccccc1-c1nc2c(C)cccc2[nH]1
InChIInChI=1S/C16H16N2O/c1-3-19-14-10-5-4-8-12(14)16-17-13-9-6-7-11(2)15(13)18-16/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyNREFAXMOOQXVDC-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.94
Rot. Bonds3

About 2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole

2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole (PubChem CID 60646509) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole
PubChem CID60646509
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole
SMILESCCOc1ccccc1-c1nc2c(C)cccc2[nH]1
InChIInChI=1S/C16H16N2O/c1-3-19-14-10-5-4-8-12(14)16-17-13-9-6-7-11(2)15(13)18-16/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyNREFAXMOOQXVDC-UHFFFAOYSA-N
XLogP3.94
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole?
The IUPAC name of 2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole (CID 60646509) is 2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole is CCOc1ccccc1-c1nc2c(C)cccc2[nH]1.
What is the InChIKey of 2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole?
The InChIKey is NREFAXMOOQXVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-3-19-14-10-5-4-8-12(14)16-17-13-9-6-7-11(2)15(13)18-16/h4-10H,3H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole?
2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole has a molecular weight of 252.32 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole is sourced from PubChem (CID 60646509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).