3-[(7-fluoro-1-methylbenzimidazol-2-yl)methyl]morpholine

C13H16FN3O — CID 112741025

IUPAC3-[(7-fluoro-1-methylbenzimidazol-2-yl)methyl]morpholine
SMILESCn1c(CC2COCCN2)nc2cccc(F)c21
InChIInChI=1S/C13H16FN3O/c1-17-12(7-9-8-18-6-5-15-9)16-11-4-2-3-10(14)13(11)17/h2-4,9,15H,5-8H2,1H3
InChIKeyALOKFUFTTGMIMY-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.24
Rot. Bonds2

About 3-[(7-fluoro-1-methylbenzimidazol-2-yl)methyl]morpholine

3-[(7-fluoro-1-methylbenzimidazol-2-yl)methyl]morpholine (PubChem CID 112741025) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-[(7-fluoro-1-methylbenzimidazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name3-[(7-fluoro-1-methylbenzimidazol-2-yl)methyl]morpholine
PubChem CID112741025
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name3-[(7-fluoro-1-methylbenzimidazol-2-yl)methyl]morpholine
SMILESCn1c(CC2COCCN2)nc2cccc(F)c21
InChIInChI=1S/C13H16FN3O/c1-17-12(7-9-8-18-6-5-15-9)16-11-4-2-3-10(14)13(11)17/h2-4,9,15H,5-8H2,1H3
InChIKeyALOKFUFTTGMIMY-UHFFFAOYSA-N
XLogP1.24
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-2-(morpholin-3-ylmethyl)-1,3-benzoxazole
CID 83859336
2-(chloromethyl)-7-fluoro-1-methylbenzimidazole
CID 83428061
3-[(2-chloro-6-fluorophenyl)methyl]morpholine
CID 82288651
1-methyl-7-propan-2-yl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84636819
3-[2-(2,6-difluorophenyl)ethyl]morpholine
CID 104704070
2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol
CID 113462063
5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84639882
3-(naphthalen-1-ylmethyl)morpholine
CID 66932689
3-(naphthalen-1-ylmethyl)morpholine;hydrochloride
CID 129319991
2-bromo-7-fluoro-1-methylbenzimidazole
CID 83840138
2-(azepan-2-ylmethyl)-1-methylbenzimidazole
CID 79750642
(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholine
CID 118936180

Frequently Asked Questions

What is the IUPAC name of 3-[(7-fluoro-1-methylbenzimidazol-2-yl)methyl]morpholine?
The IUPAC name of 3-[(7-fluoro-1-methylbenzimidazol-2-yl)methyl]morpholine (CID 112741025) is 3-[(7-fluoro-1-methylbenzimidazol-2-yl)methyl]morpholine.
What is the SMILES notation for 3-[(7-fluoro-1-methylbenzimidazol-2-yl)methyl]morpholine?
The canonical SMILES for 3-[(7-fluoro-1-methylbenzimidazol-2-yl)methyl]morpholine is Cn1c(CC2COCCN2)nc2cccc(F)c21.
What is the InChIKey of 3-[(7-fluoro-1-methylbenzimidazol-2-yl)methyl]morpholine?
The InChIKey is ALOKFUFTTGMIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-17-12(7-9-8-18-6-5-15-9)16-11-4-2-3-10(14)13(11)17/h2-4,9,15H,5-8H2,1H3.
What are the key properties of 3-[(7-fluoro-1-methylbenzimidazol-2-yl)methyl]morpholine?
3-[(7-fluoro-1-methylbenzimidazol-2-yl)methyl]morpholine has a molecular weight of 249.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-fluoro-1-methylbenzimidazol-2-yl)methyl]morpholine is sourced from PubChem (CID 112741025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).