2-ethoxy-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine

C13H18FN3O — CID 114227019

IUPAC2-ethoxy-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine
SMILESCCOC(CN)Cc1nc2c(F)cccc2n1C
InChIInChI=1S/C13H18FN3O/c1-3-18-9(8-15)7-12-16-13-10(14)5-4-6-11(13)17(12)2/h4-6,9H,3,7-8,15H2,1-2H3
InChIKeyZCBLIFSNBLSENF-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.62
Rot. Bonds5

About 2-ethoxy-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine

2-ethoxy-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine (PubChem CID 114227019) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-ethoxy-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine
PubChem CID114227019
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name2-ethoxy-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine
SMILESCCOC(CN)Cc1nc2c(F)cccc2n1C
InChIInChI=1S/C13H18FN3O/c1-3-18-9(8-15)7-12-16-13-10(14)5-4-6-11(13)17(12)2/h4-6,9H,3,7-8,15H2,1-2H3
InChIKeyZCBLIFSNBLSENF-UHFFFAOYSA-N
XLogP1.62
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153970
2-ethoxy-3-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine
CID 114227022
ethane;2-ethyl-4-fluoro-1-methylbenzimidazole
CID 176704050
1,1,1-trifluoro-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-2-ol
CID 79873477
N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
CID 63065892
ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357720
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
ethyl 2-(4-fluoro-1-methylbenzimidazol-2-yl)pentanoate
CID 79474721
2-(chloromethyl)-4-fluoro-1-pentan-3-ylbenzimidazole
CID 60789840
(1-methyl-4-propan-2-ylbenzimidazol-2-yl)methanamine
CID 84620078
ethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate
CID 79475353
3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 60785241

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 2-ethoxy-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine (CID 114227019) is 2-ethoxy-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 2-ethoxy-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine is CCOC(CN)Cc1nc2c(F)cccc2n1C.
What is the InChIKey of 2-ethoxy-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is ZCBLIFSNBLSENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-3-18-9(8-15)7-12-16-13-10(14)5-4-6-11(13)17(12)2/h4-6,9H,3,7-8,15H2,1-2H3.
What are the key properties of 2-ethoxy-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine?
2-ethoxy-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 251.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 114227019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).