5-fluoro-2-(2-methoxyethoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline

C18H20FN3O2 — CID 75385212

IUPAC5-fluoro-2-(2-methoxyethoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
SMILESCOCCOc1ccc(F)cc1NCc1nc2ccccc2n1C
InChIInChI=1S/C18H20FN3O2/c1-22-16-6-4-3-5-14(16)21-18(22)12-20-15-11-13(19)7-8-17(15)24-10-9-23-2/h3-8,11,20H,9-10,12H2,1-2H3
InChIKeyLKEHFEUUZNLTOQ-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.35
Rot. Bonds7

About 5-fluoro-2-(2-methoxyethoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline

5-fluoro-2-(2-methoxyethoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline (PubChem CID 75385212) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-fluoro-2-(2-methoxyethoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-(2-methoxyethoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
PubChem CID75385212
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name5-fluoro-2-(2-methoxyethoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
SMILESCOCCOc1ccc(F)cc1NCc1nc2ccccc2n1C
InChIInChI=1S/C18H20FN3O2/c1-22-16-6-4-3-5-14(16)21-18(22)12-20-15-11-13(19)7-8-17(15)24-10-9-23-2/h3-8,11,20H,9-10,12H2,1-2H3
InChIKeyLKEHFEUUZNLTOQ-UHFFFAOYSA-N
XLogP3.35
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107633206
6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine
CID 103825773
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 974484
2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 110712039
3,5-dichloro-4-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107572808
N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine
CID 63772670
5-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 83130766
5-[(3-fluorophenoxy)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56753574
4-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 83129949
2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 102696777
2-bromo-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107598333
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methoxyethoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The IUPAC name of 5-fluoro-2-(2-methoxyethoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline (CID 75385212) is 5-fluoro-2-(2-methoxyethoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 5-fluoro-2-(2-methoxyethoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The canonical SMILES for 5-fluoro-2-(2-methoxyethoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline is COCCOc1ccc(F)cc1NCc1nc2ccccc2n1C.
What is the InChIKey of 5-fluoro-2-(2-methoxyethoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The InChIKey is LKEHFEUUZNLTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-22-16-6-4-3-5-14(16)21-18(22)12-20-15-11-13(19)7-8-17(15)24-10-9-23-2/h3-8,11,20H,9-10,12H2,1-2H3.
What are the key properties of 5-fluoro-2-(2-methoxyethoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
5-fluoro-2-(2-methoxyethoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline has a molecular weight of 329.38 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methoxyethoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 75385212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).