1-[(4-ethylmorpholin-2-yl)methyl]-6,7-difluorobenzimidazol-2-amine

C14H18F2N4O — CID 114400774

IUPAC1-[(4-ethylmorpholin-2-yl)methyl]-6,7-difluorobenzimidazol-2-amine
SMILESCCN1CCOC(Cn2c(N)nc3ccc(F)c(F)c32)C1
InChIInChI=1S/C14H18F2N4O/c1-2-19-5-6-21-9(7-19)8-20-13-11(18-14(20)17)4-3-10(15)12(13)16/h3-4,9H,2,5-8H2,1H3,(H2,17,18)
InChIKeyLUBWTXCCUXNTPH-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.62
Rot. Bonds3

About 1-[(4-ethylmorpholin-2-yl)methyl]-6,7-difluorobenzimidazol-2-amine

1-[(4-ethylmorpholin-2-yl)methyl]-6,7-difluorobenzimidazol-2-amine (PubChem CID 114400774) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-[(4-ethylmorpholin-2-yl)methyl]-6,7-difluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-ethylmorpholin-2-yl)methyl]-6,7-difluorobenzimidazol-2-amine
PubChem CID114400774
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name1-[(4-ethylmorpholin-2-yl)methyl]-6,7-difluorobenzimidazol-2-amine
SMILESCCN1CCOC(Cn2c(N)nc3ccc(F)c(F)c32)C1
InChIInChI=1S/C14H18F2N4O/c1-2-19-5-6-21-9(7-19)8-20-13-11(18-14(20)17)4-3-10(15)12(13)16/h3-4,9H,2,5-8H2,1H3,(H2,17,18)
InChIKeyLUBWTXCCUXNTPH-UHFFFAOYSA-N
XLogP1.62
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-ethylmorpholin-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine
CID 114400808
6,7-difluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
CID 62533222
2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-ethylmorpholine
CID 116620880
2-[1-[(4-ethylmorpholin-2-yl)methyl]benzimidazol-2-yl]ethanamine
CID 79171647
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-difluorobenzimidazol-2-amine
CID 106302379
1-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluorobenzene-1,2-diamine
CID 114399471
N-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline
CID 79165761
2-[[5-amino-4-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 114401293
4-N-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine
CID 114401447
4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine
CID 114399235
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 114400408
2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]ethanamine
CID 79165951

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]-6,7-difluorobenzimidazol-2-amine?
The IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]-6,7-difluorobenzimidazol-2-amine (CID 114400774) is 1-[(4-ethylmorpholin-2-yl)methyl]-6,7-difluorobenzimidazol-2-amine.
What is the SMILES notation for 1-[(4-ethylmorpholin-2-yl)methyl]-6,7-difluorobenzimidazol-2-amine?
The canonical SMILES for 1-[(4-ethylmorpholin-2-yl)methyl]-6,7-difluorobenzimidazol-2-amine is CCN1CCOC(Cn2c(N)nc3ccc(F)c(F)c32)C1.
What is the InChIKey of 1-[(4-ethylmorpholin-2-yl)methyl]-6,7-difluorobenzimidazol-2-amine?
The InChIKey is LUBWTXCCUXNTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c1-2-19-5-6-21-9(7-19)8-20-13-11(18-14(20)17)4-3-10(15)12(13)16/h3-4,9H,2,5-8H2,1H3,(H2,17,18).
What are the key properties of 1-[(4-ethylmorpholin-2-yl)methyl]-6,7-difluorobenzimidazol-2-amine?
1-[(4-ethylmorpholin-2-yl)methyl]-6,7-difluorobenzimidazol-2-amine has a molecular weight of 296.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylmorpholin-2-yl)methyl]-6,7-difluorobenzimidazol-2-amine is sourced from PubChem (CID 114400774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).