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

C14H19N3O2 — CID 117206155

IUPAC3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one
SMILESCCN1CCC(n2c(=O)[nH]c3c(OC)cccc32)C1
InChIInChI=1S/C14H19N3O2/c1-3-16-8-7-10(9-16)17-11-5-4-6-12(19-2)13(11)15-14(17)18/h4-6,10H,3,7-9H2,1-2H3,(H,15,18)
InChIKeyQYTWUUWBMFTEFL-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.60
Rot. Bonds3

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

3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one (PubChem CID 117206155) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one
PubChem CID117206155
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one
SMILESCCN1CCC(n2c(=O)[nH]c3c(OC)cccc32)C1
InChIInChI=1S/C14H19N3O2/c1-3-16-8-7-10(9-16)17-11-5-4-6-12(19-2)13(11)15-14(17)18/h4-6,10H,3,7-9H2,1-2H3,(H,15,18)
InChIKeyQYTWUUWBMFTEFL-UHFFFAOYSA-N
XLogP1.60
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.60
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
7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one
CID 117206184
3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117261828
3-cyclohexyl-7-methoxy-1H-benzimidazol-2-one
CID 117206936
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-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-quinazoline-2,4-dione
CID 117261507
3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one
CID 117207067
7-methoxy-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
CID 19771132
3-[(1-ethylpyrrolidin-3-yl)methyl]-7-fluoro-1H-benzimidazol-2-one
CID 117206223
N-(1H-indol-6-yl)-4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxamide
CID 155466242

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one?
The IUPAC name of 3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one (CID 117206155) is 3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one?
The canonical SMILES for 3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one is CCN1CCC(n2c(=O)[nH]c3c(OC)cccc32)C1.
What is the InChIKey of 3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one?
The InChIKey is QYTWUUWBMFTEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-16-8-7-10(9-16)17-11-5-4-6-12(19-2)13(11)15-14(17)18/h4-6,10H,3,7-9H2,1-2H3,(H,15,18).
What are the key properties of 3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one?
3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one is sourced from PubChem (CID 117206155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).