N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine

C11H14FN3O — CID 63772504

IUPACN-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc2c(F)cccc2[nH]1
InChIInChI=1S/C11H14FN3O/c1-16-6-5-13-7-10-14-9-4-2-3-8(12)11(9)15-10/h2-4,13H,5-7H2,1H3,(H,14,15)
InChIKeyANYCQLFIQOSEBV-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.44
Rot. Bonds5

About N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine

N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine (PubChem CID 63772504) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine
PubChem CID63772504
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC NameN-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc2c(F)cccc2[nH]1
InChIInChI=1S/C11H14FN3O/c1-16-6-5-13-7-10-14-9-4-2-3-8(12)11(9)15-10/h2-4,13H,5-7H2,1H3,(H,14,15)
InChIKeyANYCQLFIQOSEBV-UHFFFAOYSA-N
XLogP1.44
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 79257733
tert-butyl N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]carbamate
CID 118996720
N-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine
CID 83961851
4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole
CID 112603045
N-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine
CID 82448807
N-[2-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylaniline
CID 60837376
3-(4-fluoro-1H-benzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 60837837
2-[(3,4-dimethylphenyl)methyl]-4-fluoro-1H-benzimidazole
CID 64722128
N-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine
CID 78911282
2-[2-[(4-fluoro-1H-benzimidazol-2-yl)methylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 129052434
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
2-(2-methoxyethyl)-4-methyl-1H-benzimidazole
CID 64722498

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine (CID 63772504) is N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine is COCCNCc1nc2c(F)cccc2[nH]1.
What is the InChIKey of N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is ANYCQLFIQOSEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-16-6-5-13-7-10-14-9-4-2-3-8(12)11(9)15-10/h2-4,13H,5-7H2,1H3,(H,14,15).
What are the key properties of N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine?
N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 223.25 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 63772504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).