3-(oxolan-3-ylmethyl)-1H-benzimidazol-2-one

C12H14N2O2 — CID 117206200

IUPAC3-(oxolan-3-ylmethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CC1CCOC1
InChIInChI=1S/C12H14N2O2/c15-12-13-10-3-1-2-4-11(10)14(12)7-9-5-6-16-8-9/h1-4,9H,5-8H2,(H,13,15)
InChIKeyKFKBKRKQBFHFDF-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.37
Rot. Bonds2

About 3-(oxolan-3-ylmethyl)-1H-benzimidazol-2-one

3-(oxolan-3-ylmethyl)-1H-benzimidazol-2-one (PubChem CID 117206200) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(oxolan-3-ylmethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(oxolan-3-ylmethyl)-1H-benzimidazol-2-one
PubChem CID117206200
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(oxolan-3-ylmethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CC1CCOC1
InChIInChI=1S/C12H14N2O2/c15-12-13-10-3-1-2-4-11(10)14(12)7-9-5-6-16-8-9/h1-4,9H,5-8H2,(H,13,15)
InChIKeyKFKBKRKQBFHFDF-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione
CID 94025623
3-(cyclopropylmethyl)-1H-benzimidazol-2-one
CID 57436030
3-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one
CID 15585637
3-[(2-oxooxolan-3-yl)methyl]-1H-benzimidazol-2-one
CID 141494092
6-chloro-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one
CID 117207372
5-hydroxy-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one
CID 117208125
(3S)-4-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]morpholine-3-carboxylic acid
CID 125119311
3-[1-[2-(oxolan-3-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968472
6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione
CID 115947976
7-fluoro-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one
CID 117206256
3-(oxan-4-ylmethyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82784396
3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one
CID 807407

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylmethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(oxolan-3-ylmethyl)-1H-benzimidazol-2-one (CID 117206200) is 3-(oxolan-3-ylmethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(oxolan-3-ylmethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(oxolan-3-ylmethyl)-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CC1CCOC1.
What is the InChIKey of 3-(oxolan-3-ylmethyl)-1H-benzimidazol-2-one?
The InChIKey is KFKBKRKQBFHFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-12-13-10-3-1-2-4-11(10)14(12)7-9-5-6-16-8-9/h1-4,9H,5-8H2,(H,13,15).
What are the key properties of 3-(oxolan-3-ylmethyl)-1H-benzimidazol-2-one?
3-(oxolan-3-ylmethyl)-1H-benzimidazol-2-one has a molecular weight of 218.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylmethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117206200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).