1-(1H-benzimidazol-2-yl)-2-(2,6-difluoro-4-methoxyphenyl)ethanamine

C16H15F2N3O — CID 121471409

IUPAC1-(1H-benzimidazol-2-yl)-2-(2,6-difluoro-4-methoxyphenyl)ethanamine
SMILESCOc1cc(F)c(CC(N)c2nc3ccccc3[nH]2)c(F)c1
InChIInChI=1S/C16H15F2N3O/c1-22-9-6-11(17)10(12(18)7-9)8-13(19)16-20-14-4-2-3-5-15(14)21-16/h2-7,13H,8,19H2,1H3,(H,20,21)
InChIKeyQVECNMWGBZDCQV-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.09
Rot. Bonds4

About 1-(1H-benzimidazol-2-yl)-2-(2,6-difluoro-4-methoxyphenyl)ethanamine

1-(1H-benzimidazol-2-yl)-2-(2,6-difluoro-4-methoxyphenyl)ethanamine (PubChem CID 121471409) has the molecular formula C16H15F2N3O and a molecular weight of 303.31 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-2-(2,6-difluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-2-(2,6-difluoro-4-methoxyphenyl)ethanamine
PubChem CID121471409
Molecular FormulaC16H15F2N3O
Molecular Weight303.31 g/mol
Exact Mass303.12
IUPAC Name1-(1H-benzimidazol-2-yl)-2-(2,6-difluoro-4-methoxyphenyl)ethanamine
SMILESCOc1cc(F)c(CC(N)c2nc3ccccc3[nH]2)c(F)c1
InChIInChI=1S/C16H15F2N3O/c1-22-9-6-11(17)10(12(18)7-9)8-13(19)16-20-14-4-2-3-5-15(14)21-16/h2-7,13H,8,19H2,1H3,(H,20,21)
InChIKeyQVECNMWGBZDCQV-UHFFFAOYSA-N
XLogP3.09
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-benzimidazol-2-yl)-2-(2,5-difluoro-4-methoxyphenyl)ethanamine
CID 121471218
tert-butyl N-[1-(1H-benzimidazol-2-yl)-2-(2,6-difluoro-4-methoxyphenyl)ethyl]carbamate
CID 131748708
(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 121471175
(1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine
CID 27506225
(2R)-2-(1H-benzimidazol-2-yl)-N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
CID 6340360
(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 67626319
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422
2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine
CID 81078800
1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 2771995
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxyaniline
CID 53411479
(1S)-1-(1H-benzimidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethanamine;2,2,2-trifluoroacetic acid
CID 171925772
(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
CID 112756298

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-2-(2,6-difluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-2-(2,6-difluoro-4-methoxyphenyl)ethanamine (CID 121471409) is 1-(1H-benzimidazol-2-yl)-2-(2,6-difluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-2-(2,6-difluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-2-(2,6-difluoro-4-methoxyphenyl)ethanamine is COc1cc(F)c(CC(N)c2nc3ccccc3[nH]2)c(F)c1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-2-(2,6-difluoro-4-methoxyphenyl)ethanamine?
The InChIKey is QVECNMWGBZDCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O/c1-22-9-6-11(17)10(12(18)7-9)8-13(19)16-20-14-4-2-3-5-15(14)21-16/h2-7,13H,8,19H2,1H3,(H,20,21).
What are the key properties of 1-(1H-benzimidazol-2-yl)-2-(2,6-difluoro-4-methoxyphenyl)ethanamine?
1-(1H-benzimidazol-2-yl)-2-(2,6-difluoro-4-methoxyphenyl)ethanamine has a molecular weight of 303.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-2-(2,6-difluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 121471409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).