1-(2-ethoxy-4-methoxybenzimidazol-1-yl)hexan-1-one

C16H22N2O3 — CID 167618727

IUPAC1-(2-ethoxy-4-methoxybenzimidazol-1-yl)hexan-1-one
SMILESCCCCCC(=O)n1c(OCC)nc2c(OC)cccc21
InChIInChI=1S/C16H22N2O3/c1-4-6-7-11-14(19)18-12-9-8-10-13(20-3)15(12)17-16(18)21-5-2/h8-10H,4-7,11H2,1-3H3
InChIKeyMCYXKMLETXFUKA-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.66
Rot. Bonds7

About 1-(2-ethoxy-4-methoxybenzimidazol-1-yl)hexan-1-one

1-(2-ethoxy-4-methoxybenzimidazol-1-yl)hexan-1-one (PubChem CID 167618727) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2-ethoxy-4-methoxybenzimidazol-1-yl)hexan-1-one.

Molecular Properties

Compound Name1-(2-ethoxy-4-methoxybenzimidazol-1-yl)hexan-1-one
PubChem CID167618727
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(2-ethoxy-4-methoxybenzimidazol-1-yl)hexan-1-one
SMILESCCCCCC(=O)n1c(OCC)nc2c(OC)cccc21
InChIInChI=1S/C16H22N2O3/c1-4-6-7-11-14(19)18-12-9-8-10-13(20-3)15(12)17-16(18)21-5-2/h8-10H,4-7,11H2,1-3H3
InChIKeyMCYXKMLETXFUKA-UHFFFAOYSA-N
XLogP3.66
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-ethoxy-4-methoxybenzimidazole-1-carboxamide
CID 156708251
1-(2,6-dimethoxyphenyl)decan-1-one
CID 114966448
N'-[2-(2-methoxyphenoxy)acetyl]tetradecanehydrazide
CID 54792289
1-[4-(2-methoxyphenyl)piperazin-1-yl]octadecan-1-one
CID 156635306
(2-methoxyphenyl) dodecanoate
CID 139927041
1-(2-methoxy-6-methylphenyl)pentan-1-one
CID 83950102
(2-methoxyphenyl) octanoate
CID 68908014
1-(2-methoxyphenyl)undecan-1-one
CID 63411736
1-(3-acetyl-2-sulfanylidenebenzimidazol-1-yl)hexan-1-one
CID 54769395
(2-heptanoyloxy-3-methoxyphenyl) heptanoate
CID 90024942
1-(2,5-dihydroxypyrrol-1-yl)nonan-1-one
CID 54432084
1-(2,5-dihydroxypyrrol-1-yl)tetradecan-1-one
CID 123388577

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-methoxybenzimidazol-1-yl)hexan-1-one?
The IUPAC name of 1-(2-ethoxy-4-methoxybenzimidazol-1-yl)hexan-1-one (CID 167618727) is 1-(2-ethoxy-4-methoxybenzimidazol-1-yl)hexan-1-one.
What is the SMILES notation for 1-(2-ethoxy-4-methoxybenzimidazol-1-yl)hexan-1-one?
The canonical SMILES for 1-(2-ethoxy-4-methoxybenzimidazol-1-yl)hexan-1-one is CCCCCC(=O)n1c(OCC)nc2c(OC)cccc21.
What is the InChIKey of 1-(2-ethoxy-4-methoxybenzimidazol-1-yl)hexan-1-one?
The InChIKey is MCYXKMLETXFUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-6-7-11-14(19)18-12-9-8-10-13(20-3)15(12)17-16(18)21-5-2/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 1-(2-ethoxy-4-methoxybenzimidazol-1-yl)hexan-1-one?
1-(2-ethoxy-4-methoxybenzimidazol-1-yl)hexan-1-one has a molecular weight of 290.36 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-methoxybenzimidazol-1-yl)hexan-1-one is sourced from PubChem (CID 167618727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).