5-fluoro-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one

C14H18FN3O — CID 117208118

IUPAC5-fluoro-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one
SMILESCN1CCCC(Cn2c(=O)[nH]c3ccc(F)cc32)C1
InChIInChI=1S/C14H18FN3O/c1-17-6-2-3-10(8-17)9-18-13-7-11(15)4-5-12(13)16-14(18)19/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,16,19)
InChIKeyPEBXNORNJVHKDE-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.81
Rot. Bonds2

About 5-fluoro-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one

5-fluoro-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one (PubChem CID 117208118) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-fluoro-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one
PubChem CID117208118
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name5-fluoro-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one
SMILESCN1CCCC(Cn2c(=O)[nH]c3ccc(F)cc32)C1
InChIInChI=1S/C14H18FN3O/c1-17-6-2-3-10(8-17)9-18-13-7-11(15)4-5-12(13)16-14(18)19/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,16,19)
InChIKeyPEBXNORNJVHKDE-UHFFFAOYSA-N
XLogP1.81
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze 5-fluoro-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117207368
3-[(1-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208899
5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one
CID 117208472
bromoethane;1-ethyl-3-[(1-methylpiperidin-3-yl)methyl]benzimidazol-2-one;3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 159921530
3-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208607
3-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-benzimidazol-2-one
CID 12972134
5-bromo-3-(cyclopropylmethyl)-1H-benzimidazol-2-one
CID 177301987
4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 172832405
3-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-benzimidazol-2-one
CID 117207857
6-fluoro-3-(thiolan-3-ylmethyl)-1H-benzimidazol-2-one
CID 117207085
4-bromo-3-[(1-methylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117208626
3-(2-cyclohexylethyl)-5-fluoro-1H-benzimidazole-2-thione
CID 63545469

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 5-fluoro-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one (CID 117208118) is 5-fluoro-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5-fluoro-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 5-fluoro-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one is CN1CCCC(Cn2c(=O)[nH]c3ccc(F)cc32)C1.
What is the InChIKey of 5-fluoro-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one?
The InChIKey is PEBXNORNJVHKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-17-6-2-3-10(8-17)9-18-13-7-11(15)4-5-12(13)16-14(18)19/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,16,19).
What are the key properties of 5-fluoro-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one?
5-fluoro-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one has a molecular weight of 263.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117208118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).