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

C14H17F2N3O — CID 116620880

IUPAC2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-ethylmorpholine
SMILESCCN1CCOC(Cn2cnc3cc(F)c(F)cc32)C1
InChIInChI=1S/C14H17F2N3O/c1-2-18-3-4-20-10(7-18)8-19-9-17-13-5-11(15)12(16)6-14(13)19/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyQBZZSKVSTUXQAU-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.04
Rot. Bonds3

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

2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-ethylmorpholine (PubChem CID 116620880) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-ethylmorpholine.

Molecular Properties

Compound Name2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-ethylmorpholine
PubChem CID116620880
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-ethylmorpholine
SMILESCCN1CCOC(Cn2cnc3cc(F)c(F)cc32)C1
InChIInChI=1S/C14H17F2N3O/c1-2-18-3-4-20-10(7-18)8-19-9-17-13-5-11(15)12(16)6-14(13)19/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyQBZZSKVSTUXQAU-UHFFFAOYSA-N
XLogP2.04
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methylmorpholine
CID 116620895
3-[(4-ethylmorpholin-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 114400969
1-[(4-ethylmorpholin-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine
CID 114400808
1-[(4-ethylmorpholin-2-yl)methyl]imidazole-4,5-dicarbonitrile
CID 112595470
3-[(4-ethylmorpholin-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 114400968
9-[(4-ethylmorpholin-2-yl)methyl]purin-6-amine
CID 79182824
5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114583459
1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one
CID 116618394
6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]-5-fluoro-1H-benzimidazole-2-thione
CID 114400750
1-[(4-ethylmorpholin-2-yl)methyl]-6,7-difluorobenzimidazol-2-amine
CID 114400774
2-[1-[(4-ethylmorpholin-2-yl)methyl]benzimidazol-2-yl]ethanamine
CID 79171647
3-[(4-ethylmorpholin-2-yl)methyl]-6-fluoro-5-methyl-1H-benzimidazole-2-thione
CID 103592526

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-ethylmorpholine?
The IUPAC name of 2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-ethylmorpholine (CID 116620880) is 2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-ethylmorpholine.
What is the SMILES notation for 2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-ethylmorpholine?
The canonical SMILES for 2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-ethylmorpholine is CCN1CCOC(Cn2cnc3cc(F)c(F)cc32)C1.
What is the InChIKey of 2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-ethylmorpholine?
The InChIKey is QBZZSKVSTUXQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-2-18-3-4-20-10(7-18)8-19-9-17-13-5-11(15)12(16)6-14(13)19/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-ethylmorpholine?
2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-ethylmorpholine has a molecular weight of 281.31 g/mol, XLogP of 2.04, 3 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-ethylmorpholine is sourced from PubChem (CID 116620880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).