2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methylmorpholine

C13H15F2N3O — CID 116620895

IUPAC2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methylmorpholine
SMILESCN1CCOC(Cn2cnc3cc(F)c(F)cc32)C1
InChIInChI=1S/C13H15F2N3O/c1-17-2-3-19-9(6-17)7-18-8-16-12-4-10(14)11(15)5-13(12)18/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyMVBMGFBJRUSBFZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.65
Rot. Bonds2

About 2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methylmorpholine

2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methylmorpholine (PubChem CID 116620895) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methylmorpholine
PubChem CID116620895
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methylmorpholine
SMILESCN1CCOC(Cn2cnc3cc(F)c(F)cc32)C1
InChIInChI=1S/C13H15F2N3O/c1-17-2-3-19-9(6-17)7-18-8-16-12-4-10(14)11(15)5-13(12)18/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyMVBMGFBJRUSBFZ-UHFFFAOYSA-N
XLogP1.65
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-ethylmorpholine
CID 116620880
6-amino-3-[(4-methylmorpholin-2-yl)methyl]quinazolin-4-one
CID 79172302
1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde
CID 79182107
[3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine
CID 79078229
3-[(4-ethylmorpholin-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 114400969
1-[(4-methylmorpholin-2-yl)methyl]imidazol-4-amine
CID 165465345
5-fluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 124594370
2-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methylmorpholine
CID 115471690
2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]methyl]-4-methylmorpholine
CID 146040864
4-methyl-2-[[2-(2-methylphenyl)imidazol-1-yl]methyl]morpholine
CID 154821341
3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171790
3-(5,6-difluorobenzimidazol-1-yl)propan-1-ol
CID 110892023

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methylmorpholine?
The IUPAC name of 2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methylmorpholine (CID 116620895) is 2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methylmorpholine.
What is the SMILES notation for 2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methylmorpholine?
The canonical SMILES for 2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methylmorpholine is CN1CCOC(Cn2cnc3cc(F)c(F)cc32)C1.
What is the InChIKey of 2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methylmorpholine?
The InChIKey is MVBMGFBJRUSBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-17-2-3-19-9(6-17)7-18-8-16-12-4-10(14)11(15)5-13(12)18/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methylmorpholine?
2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methylmorpholine has a molecular weight of 267.28 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methylmorpholine is sourced from PubChem (CID 116620895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).