3-(3-phenoxypropyl)-1H-benzimidazol-2-one

C16H16N2O2 — CID 649414

IUPAC3-(3-phenoxypropyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C16H16N2O2/c19-16-17-14-9-4-5-10-15(14)18(16)11-6-12-20-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,17,19)
InChIKeyKQWOOYFODBWMQK-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.80
Rot. Bonds5

About 3-(3-phenoxypropyl)-1H-benzimidazol-2-one

3-(3-phenoxypropyl)-1H-benzimidazol-2-one (PubChem CID 649414) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(3-phenoxypropyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(3-phenoxypropyl)-1H-benzimidazol-2-one
PubChem CID649414
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-(3-phenoxypropyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C16H16N2O2/c19-16-17-14-9-4-5-10-15(14)18(16)11-6-12-20-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,17,19)
InChIKeyKQWOOYFODBWMQK-UHFFFAOYSA-N
XLogP2.80
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4-aminophenoxy)propyl]-1H-benzimidazol-2-one
CID 61035080
4-[3-(2-oxo-3H-benzimidazol-1-yl)propoxy]benzaldehyde
CID 38898419
3-(3-aminooxypropyl)-1H-benzimidazol-2-one
CID 106938634
3-[3-(4-ethoxyphenyl)sulfanylpropyl]-1H-benzimidazol-2-one
CID 26990271
3-(4-aminobutyl)-1H-benzimidazol-2-one
CID 66831527
3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride
CID 52983660
3-[3-(2-amino-2-methylbutoxy)propyl]-1H-benzimidazol-2-one
CID 106938306
CID 70523740
CID 70523740
3-(3-piperidin-4-yloxypropyl)-1H-benzimidazol-2-one
CID 106937632
3-[3-(2-amino-2-methylpropoxy)propyl]-1H-benzimidazol-2-one
CID 106938183
N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide
CID 110603181
3-(2-oxo-3H-benzimidazol-1-yl)propyl pyrazine-2-carboxylate
CID 2685861

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenoxypropyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(3-phenoxypropyl)-1H-benzimidazol-2-one (CID 649414) is 3-(3-phenoxypropyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(3-phenoxypropyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(3-phenoxypropyl)-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CCCOc1ccccc1.
What is the InChIKey of 3-(3-phenoxypropyl)-1H-benzimidazol-2-one?
The InChIKey is KQWOOYFODBWMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16-17-14-9-4-5-10-15(14)18(16)11-6-12-20-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,17,19).
What are the key properties of 3-(3-phenoxypropyl)-1H-benzimidazol-2-one?
3-(3-phenoxypropyl)-1H-benzimidazol-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenoxypropyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 649414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).