7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one

C13H16N2O3 — CID 117206184

IUPAC7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one
SMILESCOc1cccc2c1[nH]c(=O)n2C1CCOCC1
InChIInChI=1S/C13H16N2O3/c1-17-11-4-2-3-10-12(11)14-13(16)15(10)9-5-7-18-8-6-9/h2-4,9H,5-8H2,1H3,(H,14,16)
InChIKeyHGWKAXLLXRNWAK-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.69
Rot. Bonds2

About 7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one

7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one (PubChem CID 117206184) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one
PubChem CID117206184
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one
SMILESCOc1cccc2c1[nH]c(=O)n2C1CCOCC1
InChIInChI=1S/C13H16N2O3/c1-17-11-4-2-3-10-12(11)14-13(16)15(10)9-5-7-18-8-6-9/h2-4,9H,5-8H2,1H3,(H,14,16)
InChIKeyHGWKAXLLXRNWAK-UHFFFAOYSA-N
XLogP1.69
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
CID 117206915
3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one
CID 117206922
3-cyclohexyl-7-methoxy-1H-benzimidazol-2-one
CID 117206936
3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one
CID 117206155
ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 69176194
7-chloro-3-(oxolan-3-yl)-1H-benzimidazol-2-one
CID 117206130
7-methoxy-3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one
CID 117206382
7-methoxy-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one
CID 117206556
4-amino-1-(oxan-4-yl)-3H-imidazo[4,5-c]pyridin-2-one
CID 168817897
3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117261828
N-(1H-indol-6-yl)-4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxamide
CID 155466242
7-methoxy-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
CID 19771132

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one?
The IUPAC name of 7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one (CID 117206184) is 7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one is COc1cccc2c1[nH]c(=O)n2C1CCOCC1.
What is the InChIKey of 7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one?
The InChIKey is HGWKAXLLXRNWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-17-11-4-2-3-10-12(11)14-13(16)15(10)9-5-7-18-8-6-9/h2-4,9H,5-8H2,1H3,(H,14,16).
What are the key properties of 7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one?
7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one has a molecular weight of 248.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117206184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).