1-(1H-benzimidazol-2-yl)-2-(2,5-difluoro-4-methoxyphenyl)ethanamine

C16H15F2N3O — CID 121471218

IUPAC1-(1H-benzimidazol-2-yl)-2-(2,5-difluoro-4-methoxyphenyl)ethanamine
SMILESCOc1cc(F)c(CC(N)c2nc3ccccc3[nH]2)cc1F
InChIInChI=1S/C16H15F2N3O/c1-22-15-8-10(17)9(6-11(15)18)7-12(19)16-20-13-4-2-3-5-14(13)21-16/h2-6,8,12H,7,19H2,1H3,(H,20,21)
InChIKeyNVPBLQMCQFCLBV-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.09
Rot. Bonds4

About 1-(1H-benzimidazol-2-yl)-2-(2,5-difluoro-4-methoxyphenyl)ethanamine

1-(1H-benzimidazol-2-yl)-2-(2,5-difluoro-4-methoxyphenyl)ethanamine (PubChem CID 121471218) has the molecular formula C16H15F2N3O and a molecular weight of 303.31 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-2-(2,5-difluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-2-(2,5-difluoro-4-methoxyphenyl)ethanamine
PubChem CID121471218
Molecular FormulaC16H15F2N3O
Molecular Weight303.31 g/mol
Exact Mass303.12
IUPAC Name1-(1H-benzimidazol-2-yl)-2-(2,5-difluoro-4-methoxyphenyl)ethanamine
SMILESCOc1cc(F)c(CC(N)c2nc3ccccc3[nH]2)cc1F
InChIInChI=1S/C16H15F2N3O/c1-22-15-8-10(17)9(6-11(15)18)7-12(19)16-20-13-4-2-3-5-14(13)21-16/h2-6,8,12H,7,19H2,1H3,(H,20,21)
InChIKeyNVPBLQMCQFCLBV-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

Analyze 1-(1H-benzimidazol-2-yl)-2-(2,5-difluoro-4-methoxyphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1H-benzimidazol-2-yl)-2-(2,6-difluoro-4-methoxyphenyl)ethanamine
CID 121471409
(1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine
CID 27506225
(2S)-2-(1H-benzimidazol-2-yl)-4-(3-fluoro-4-methoxyphenyl)-3-oxobutanenitrile
CID 94140155
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 46560894
1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 2771995
(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 121471175
2-(1H-benzimidazol-2-yl)-3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
CID 112539106
N-[1-(1H-benzimidazol-2-yl)propyl]-2-(2-methoxyphenoxy)acetamide
CID 56824045
(2R)-2-(1H-benzimidazol-2-yl)-N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
CID 6340360
2-[1-(3-bromo-4-methoxyphenyl)ethyl]-1H-benzimidazole
CID 89433823
(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
CID 112756298
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60592565

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-2-(2,5-difluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-2-(2,5-difluoro-4-methoxyphenyl)ethanamine (CID 121471218) is 1-(1H-benzimidazol-2-yl)-2-(2,5-difluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-2-(2,5-difluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-2-(2,5-difluoro-4-methoxyphenyl)ethanamine is COc1cc(F)c(CC(N)c2nc3ccccc3[nH]2)cc1F.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-2-(2,5-difluoro-4-methoxyphenyl)ethanamine?
The InChIKey is NVPBLQMCQFCLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O/c1-22-15-8-10(17)9(6-11(15)18)7-12(19)16-20-13-4-2-3-5-14(13)21-16/h2-6,8,12H,7,19H2,1H3,(H,20,21).
What are the key properties of 1-(1H-benzimidazol-2-yl)-2-(2,5-difluoro-4-methoxyphenyl)ethanamine?
1-(1H-benzimidazol-2-yl)-2-(2,5-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-(2,5-difluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 121471218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).