3-[(1-ethylpyrrolidin-3-yl)methyl]-7-fluoro-1H-benzimidazol-2-one

C14H18FN3O — CID 117206223

IUPAC3-[(1-ethylpyrrolidin-3-yl)methyl]-7-fluoro-1H-benzimidazol-2-one
SMILESCCN1CCC(Cn2c(=O)[nH]c3c(F)cccc32)C1
InChIInChI=1S/C14H18FN3O/c1-2-17-7-6-10(8-17)9-18-12-5-3-4-11(15)13(12)16-14(18)19/h3-5,10H,2,6-9H2,1H3,(H,16,19)
InChIKeyQFQWGQGCTOTRHJ-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.81
Rot. Bonds3

About 3-[(1-ethylpyrrolidin-3-yl)methyl]-7-fluoro-1H-benzimidazol-2-one

3-[(1-ethylpyrrolidin-3-yl)methyl]-7-fluoro-1H-benzimidazol-2-one (PubChem CID 117206223) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-3-yl)methyl]-7-fluoro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-3-yl)methyl]-7-fluoro-1H-benzimidazol-2-one
PubChem CID117206223
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name3-[(1-ethylpyrrolidin-3-yl)methyl]-7-fluoro-1H-benzimidazol-2-one
SMILESCCN1CCC(Cn2c(=O)[nH]c3c(F)cccc32)C1
InChIInChI=1S/C14H18FN3O/c1-2-17-7-6-10(8-17)9-18-12-5-3-4-11(15)13(12)16-14(18)19/h3-5,10H,2,6-9H2,1H3,(H,16,19)
InChIKeyQFQWGQGCTOTRHJ-UHFFFAOYSA-N
XLogP1.81
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one
CID 117206256
3-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one
CID 117207118
3-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-benzimidazol-2-one
CID 117207857
1-[(4-methylcyclohexyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541480
1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115543162
7-fluoro-3-(3-methoxypropyl)-1H-benzimidazol-2-one
CID 117206096
3-[(1,1-dioxothian-4-yl)methyl]-7-methyl-1H-benzimidazol-2-one
CID 117206250
3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one
CID 117206155
1-[(3-methylcyclopentyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 107413611
1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one
CID 60857529
4-chloro-2-(1-chloroethyl)-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazole
CID 104837716
4-chloro-2-(2-chloroethyl)-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazole
CID 104837714

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-3-yl)methyl]-7-fluoro-1H-benzimidazol-2-one?
The IUPAC name of 3-[(1-ethylpyrrolidin-3-yl)methyl]-7-fluoro-1H-benzimidazol-2-one (CID 117206223) is 3-[(1-ethylpyrrolidin-3-yl)methyl]-7-fluoro-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-3-yl)methyl]-7-fluoro-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(1-ethylpyrrolidin-3-yl)methyl]-7-fluoro-1H-benzimidazol-2-one is CCN1CCC(Cn2c(=O)[nH]c3c(F)cccc32)C1.
What is the InChIKey of 3-[(1-ethylpyrrolidin-3-yl)methyl]-7-fluoro-1H-benzimidazol-2-one?
The InChIKey is QFQWGQGCTOTRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-2-17-7-6-10(8-17)9-18-12-5-3-4-11(15)13(12)16-14(18)19/h3-5,10H,2,6-9H2,1H3,(H,16,19).
What are the key properties of 3-[(1-ethylpyrrolidin-3-yl)methyl]-7-fluoro-1H-benzimidazol-2-one?
3-[(1-ethylpyrrolidin-3-yl)methyl]-7-fluoro-1H-benzimidazol-2-one has a molecular weight of 263.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-3-yl)methyl]-7-fluoro-1H-benzimidazol-2-one is sourced from PubChem (CID 117206223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).