1-(1H-benzimidazol-2-yl)-N-[(2,3-difluorophenyl)methyl]ethanamine

C16H15F2N3 — CID 63668582

IUPAC1-(1H-benzimidazol-2-yl)-N-[(2,3-difluorophenyl)methyl]ethanamine
SMILESCC(NCc1cccc(F)c1F)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H15F2N3/c1-10(16-20-13-7-2-3-8-14(13)21-16)19-9-11-5-4-6-12(17)15(11)18/h2-8,10,19H,9H2,1H3,(H,20,21)
InChIKeySPROAKJIWIAOCZ-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.69
Rot. Bonds4

About 1-(1H-benzimidazol-2-yl)-N-[(2,3-difluorophenyl)methyl]ethanamine

1-(1H-benzimidazol-2-yl)-N-[(2,3-difluorophenyl)methyl]ethanamine (PubChem CID 63668582) has the molecular formula C16H15F2N3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-[(2,3-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-[(2,3-difluorophenyl)methyl]ethanamine
PubChem CID63668582
Molecular FormulaC16H15F2N3
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name1-(1H-benzimidazol-2-yl)-N-[(2,3-difluorophenyl)methyl]ethanamine
SMILESCC(NCc1cccc(F)c1F)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H15F2N3/c1-10(16-20-13-7-2-3-8-14(13)21-16)19-9-11-5-4-6-12(17)15(11)18/h2-8,10,19H,9H2,1H3,(H,20,21)
InChIKeySPROAKJIWIAOCZ-UHFFFAOYSA-N
XLogP3.69
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60664275
1-(1H-benzimidazol-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66397290
1-(1H-benzimidazol-2-yl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine
CID 114452848
1-(1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 60664241
1-(1H-benzimidazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62747856
1-(1H-benzimidazol-2-yl)-N-[(5-bromofuran-2-yl)methyl]ethanamine
CID 55023348
1-(1H-benzimidazol-2-yl)-N-[(5-chlorofuran-2-yl)methyl]ethanamine
CID 60665126
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
(1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 81377742
5-[[1-(1H-benzimidazol-2-yl)ethylamino]methyl]furan-3-carboxylic acid
CID 104608892
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 41259236
1-(1H-benzimidazol-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 62673725

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[(2,3-difluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[(2,3-difluorophenyl)methyl]ethanamine (CID 63668582) is 1-(1H-benzimidazol-2-yl)-N-[(2,3-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-[(2,3-difluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-[(2,3-difluorophenyl)methyl]ethanamine is CC(NCc1cccc(F)c1F)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-[(2,3-difluorophenyl)methyl]ethanamine?
The InChIKey is SPROAKJIWIAOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3/c1-10(16-20-13-7-2-3-8-14(13)21-16)19-9-11-5-4-6-12(17)15(11)18/h2-8,10,19H,9H2,1H3,(H,20,21).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-[(2,3-difluorophenyl)methyl]ethanamine?
1-(1H-benzimidazol-2-yl)-N-[(2,3-difluorophenyl)methyl]ethanamine has a molecular weight of 287.31 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-[(2,3-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 63668582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).