3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one

C12H14N2O2 — CID 117206922

IUPAC3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one
SMILESCOc1cccc2c1[nH]c(=O)n2C1CCC1
InChIInChI=1S/C12H14N2O2/c1-16-10-7-3-6-9-11(10)13-12(15)14(9)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3,(H,13,15)
InChIKeySDWPWYOMRQZGKO-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.06
Rot. Bonds2

About 3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one

3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one (PubChem CID 117206922) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one
PubChem CID117206922
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one
SMILESCOc1cccc2c1[nH]c(=O)n2C1CCC1
InChIInChI=1S/C12H14N2O2/c1-16-10-7-3-6-9-11(10)13-12(15)14(9)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3,(H,13,15)
InChIKeySDWPWYOMRQZGKO-UHFFFAOYSA-N
XLogP2.06
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-7-methoxy-1H-benzimidazol-2-one
CID 117206936
3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
CID 117206915
7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one
CID 117206184
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-methoxy-3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one
CID 117206382
3-cyclobutyl-4-methoxy-1H-benzimidazol-2-one
CID 117209284
7-methoxy-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
CID 19771132
N-(1H-indol-6-yl)-4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxamide
CID 155466242
3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117261828
3-(2-bromophenyl)-7-methoxy-1H-benzimidazol-2-one
CID 117206866
7-methoxy-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one
CID 117206556

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one?
The IUPAC name of 3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one (CID 117206922) is 3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one.
What is the SMILES notation for 3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one?
The canonical SMILES for 3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one is COc1cccc2c1[nH]c(=O)n2C1CCC1.
What is the InChIKey of 3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one?
The InChIKey is SDWPWYOMRQZGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-16-10-7-3-6-9-11(10)13-12(15)14(9)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3,(H,13,15).
What are the key properties of 3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one?
3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one has a molecular weight of 218.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one is sourced from PubChem (CID 117206922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).