5-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-methylpiperidin-2-one

C16H21FN4O — CID 138384460

IUPAC5-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-methylpiperidin-2-one
SMILESCN(Cc1nc2ccc(F)cc2[nH]1)CC1CCC(=O)N(C)C1
InChIInChI=1S/C16H21FN4O/c1-20(8-11-3-6-16(22)21(2)9-11)10-15-18-13-5-4-12(17)7-14(13)19-15/h4-5,7,11H,3,6,8-10H2,1-2H3,(H,18,19)
InChIKeyFHPODCPLLBBYCX-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.00
Rot. Bonds4

About 5-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-methylpiperidin-2-one

5-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-methylpiperidin-2-one (PubChem CID 138384460) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-methylpiperidin-2-one
PubChem CID138384460
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name5-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-methylpiperidin-2-one
SMILESCN(Cc1nc2ccc(F)cc2[nH]1)CC1CCC(=O)N(C)C1
InChIInChI=1S/C16H21FN4O/c1-20(8-11-3-6-16(22)21(2)9-11)10-15-18-13-5-4-12(17)7-14(13)19-15/h4-5,7,11H,3,6,8-10H2,1-2H3,(H,18,19)
InChIKeyFHPODCPLLBBYCX-UHFFFAOYSA-N
XLogP2.00
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-phenylpyrrolidin-2-one
CID 125159658
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]acetamide
CID 90649450
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-2-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 154889287
5-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-1-methylpiperidin-2-one;formic acid
CID 154920204
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 134698957
1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 50965938
1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea
CID 125446054
1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one
CID 138387699
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(6-fluoro-1H-benzimidazol-2-yl)-N-methylmethanamine
CID 91843116
formic acid;2-[[methyl-[(6-oxo-1-propan-2-ylpiperidin-3-yl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 154921655
2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide
CID 70784686

Frequently Asked Questions

What is the IUPAC name of 5-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-methylpiperidin-2-one?
The IUPAC name of 5-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-methylpiperidin-2-one (CID 138384460) is 5-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-methylpiperidin-2-one is CN(Cc1nc2ccc(F)cc2[nH]1)CC1CCC(=O)N(C)C1.
What is the InChIKey of 5-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-methylpiperidin-2-one?
The InChIKey is FHPODCPLLBBYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-20(8-11-3-6-16(22)21(2)9-11)10-15-18-13-5-4-12(17)7-14(13)19-15/h4-5,7,11H,3,6,8-10H2,1-2H3,(H,18,19).
What are the key properties of 5-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-methylpiperidin-2-one?
5-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-methylpiperidin-2-one has a molecular weight of 304.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-methylpiperidin-2-one is sourced from PubChem (CID 138384460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).