6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole

C19H22N2O2 — CID 27408358

IUPAC6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole
SMILESCCOc1ccc2nc(COc3ccccc3C(C)C)[nH]c2c1
InChIInChI=1S/C19H22N2O2/c1-4-22-14-9-10-16-17(11-14)21-19(20-16)12-23-18-8-6-5-7-15(18)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,20,21)
InChIKeyCDYLJMLGRYBSJV-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.66
Rot. Bonds6

About 6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole

6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole (PubChem CID 27408358) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole
PubChem CID27408358
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole
SMILESCCOc1ccc2nc(COc3ccccc3C(C)C)[nH]c2c1
InChIInChI=1S/C19H22N2O2/c1-4-22-14-9-10-16-17(11-14)21-19(20-16)12-23-18-8-6-5-7-15(18)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,20,21)
InChIKeyCDYLJMLGRYBSJV-UHFFFAOYSA-N
XLogP4.66
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole
CID 50754096
4-methyl-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole
CID 46264650
6-ethoxy-2-heptadecyl-1H-benzimidazole
CID 71336716
2-[(4-ethoxyphenoxy)methyl]-3H-benzimidazole-5-carbaldehyde
CID 84756475
2-(1-chloroethyl)-6-ethoxy-1H-benzimidazole
CID 82331877
2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid
CID 82331853
6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole
CID 71296316
6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole
CID 26820083
2-[(4-ethoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
CID 24958354
N-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 82336836
6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole
CID 27408365
6-fluoro-2-[(4-fluorophenoxy)methyl]-1H-benzimidazole
CID 23613775

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole?
The IUPAC name of 6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole (CID 27408358) is 6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole.
What is the SMILES notation for 6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole?
The canonical SMILES for 6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole is CCOc1ccc2nc(COc3ccccc3C(C)C)[nH]c2c1.
What is the InChIKey of 6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole?
The InChIKey is CDYLJMLGRYBSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-22-14-9-10-16-17(11-14)21-19(20-16)12-23-18-8-6-5-7-15(18)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,20,21).
What are the key properties of 6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole?
6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole has a molecular weight of 310.40 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole is sourced from PubChem (CID 27408358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).