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

C14H18F2N4O — CID 114400808

IUPAC1-[(4-ethylmorpholin-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine
SMILESCCN1CCOC(Cn2c(N)nc3c(F)cc(F)cc32)C1
InChIInChI=1S/C14H18F2N4O/c1-2-19-3-4-21-10(7-19)8-20-12-6-9(15)5-11(16)13(12)18-14(20)17/h5-6,10H,2-4,7-8H2,1H3,(H2,17,18)
InChIKeyKLWCOWIYQVQULW-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.62
Rot. Bonds3

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

1-[(4-ethylmorpholin-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine (PubChem CID 114400808) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-[(4-ethylmorpholin-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-ethylmorpholin-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine
PubChem CID114400808
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name1-[(4-ethylmorpholin-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine
SMILESCCN1CCOC(Cn2c(N)nc3c(F)cc(F)cc32)C1
InChIInChI=1S/C14H18F2N4O/c1-2-19-3-4-21-10(7-19)8-20-12-6-9(15)5-11(16)13(12)18-14(20)17/h5-6,10H,2-4,7-8H2,1H3,(H2,17,18)
InChIKeyKLWCOWIYQVQULW-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

Analyze 1-[(4-ethylmorpholin-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-ethylmorpholin-2-yl)methyl]-6,7-difluorobenzimidazol-2-amine
CID 114400774
2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-ethylmorpholine
CID 116620880
4,6-difluoro-1-(thian-2-ylmethyl)benzimidazol-2-amine
CID 115508969
4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine
CID 115508797
4,6-difluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
CID 106406005
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
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 114400408
9-[(4-ethylmorpholin-2-yl)methyl]purin-6-amine
CID 79182824
6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]-5-fluoro-1H-benzimidazole-2-thione
CID 114400750
N-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 78946861
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]-4,6-difluorobenzimidazol-2-amine?
The IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine (CID 114400808) is 1-[(4-ethylmorpholin-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine.
What is the SMILES notation for 1-[(4-ethylmorpholin-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine?
The canonical SMILES for 1-[(4-ethylmorpholin-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine is CCN1CCOC(Cn2c(N)nc3c(F)cc(F)cc32)C1.
What is the InChIKey of 1-[(4-ethylmorpholin-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine?
The InChIKey is KLWCOWIYQVQULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c1-2-19-3-4-21-10(7-19)8-20-12-6-9(15)5-11(16)13(12)18-14(20)17/h5-6,10H,2-4,7-8H2,1H3,(H2,17,18).
What are the key properties of 1-[(4-ethylmorpholin-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine?
1-[(4-ethylmorpholin-2-yl)methyl]-4,6-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]-4,6-difluorobenzimidazol-2-amine is sourced from PubChem (CID 114400808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).