N-(6-fluoro-1H-benzimidazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C13H19FN4O — CID 103294912

IUPACN-(6-fluoro-1H-benzimidazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C13H19FN4O/c1-18(7-8-19-2)6-5-15-13-16-11-4-3-10(14)9-12(11)17-13/h3-4,9H,5-8H2,1-2H3,(H2,15,16,17)
InChIKeyUZPBPUXDMZFOPU-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.69
Rot. Bonds7

About N-(6-fluoro-1H-benzimidazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-(6-fluoro-1H-benzimidazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 103294912) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(6-fluoro-1H-benzimidazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-fluoro-1H-benzimidazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID103294912
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC NameN-(6-fluoro-1H-benzimidazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C13H19FN4O/c1-18(7-8-19-2)6-5-15-13-16-11-4-3-10(14)9-12(11)17-13/h3-4,9H,5-8H2,1-2H3,(H2,15,16,17)
InChIKeyUZPBPUXDMZFOPU-UHFFFAOYSA-N
XLogP1.69
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
N-(6-fluoro-1,3-benzothiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 79144623
N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103294786
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine
CID 103295135
6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine
CID 103294952
N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295166
N-(2-methoxyethyl)-6-nitro-1H-benzimidazol-2-amine
CID 78911169
3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 103294842
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide
CID 103294870
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide
CID 103294871
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1H-benzimidazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(6-fluoro-1H-benzimidazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 103294912) is N-(6-fluoro-1H-benzimidazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(6-fluoro-1H-benzimidazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(6-fluoro-1H-benzimidazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCN(C)CCNc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-(6-fluoro-1H-benzimidazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is UZPBPUXDMZFOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-18(7-8-19-2)6-5-15-13-16-11-4-3-10(14)9-12(11)17-13/h3-4,9H,5-8H2,1-2H3,(H2,15,16,17).
What are the key properties of N-(6-fluoro-1H-benzimidazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-(6-fluoro-1H-benzimidazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 266.32 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1H-benzimidazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 103294912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).