2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline

C16H15F2N3 — CID 43123935

IUPAC2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
SMILESCC(Nc1c(F)cccc1F)c1nc2ccccc2n1C
InChIInChI=1S/C16H15F2N3/c1-10(19-15-11(17)6-5-7-12(15)18)16-20-13-8-3-4-9-14(13)21(16)2/h3-10,19H,1-2H3
InChIKeyDYVFVLKNIJTAJH-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.02
Rot. Bonds3

About 2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline

2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline (PubChem CID 43123935) has the molecular formula C16H15F2N3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
PubChem CID43123935
Molecular FormulaC16H15F2N3
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
SMILESCC(Nc1c(F)cccc1F)c1nc2ccccc2n1C
InChIInChI=1S/C16H15F2N3/c1-10(19-15-11(17)6-5-7-12(15)18)16-20-13-8-3-4-9-14(13)21(16)2/h3-10,19H,1-2H3
InChIKeyDYVFVLKNIJTAJH-UHFFFAOYSA-N
XLogP4.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43194264
N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43190024
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43194560
3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43195422
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine
CID 43190607
N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 82706490
N-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine
CID 66351451
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
CID 7574617
(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine
CID 81351559
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline?
The IUPAC name of 2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline (CID 43123935) is 2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline?
The canonical SMILES for 2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline is CC(Nc1c(F)cccc1F)c1nc2ccccc2n1C.
What is the InChIKey of 2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline?
The InChIKey is DYVFVLKNIJTAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3/c1-10(19-15-11(17)6-5-7-12(15)18)16-20-13-8-3-4-9-14(13)21(16)2/h3-10,19H,1-2H3.
What are the key properties of 2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline?
2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline has a molecular weight of 287.31 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline is sourced from PubChem (CID 43123935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).