3-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline

C15H12ClF2N3 — CID 62564430

IUPAC3-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline
SMILESFc1cc2ncn(CCNc3cccc(Cl)c3)c2cc1F
InChIInChI=1S/C15H12ClF2N3/c16-10-2-1-3-11(6-10)19-4-5-21-9-20-14-7-12(17)13(18)8-15(14)21/h1-3,6-9,19H,4-5H2
InChIKeyUIIXBHUQXQOUKL-UHFFFAOYSA-N
MW307.73 g/mol
LogP4.08
Rot. Bonds4

About 3-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline

3-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline (PubChem CID 62564430) has the molecular formula C15H12ClF2N3 and a molecular weight of 307.73 g/mol. Its IUPAC name is 3-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline
PubChem CID62564430
Molecular FormulaC15H12ClF2N3
Molecular Weight307.73 g/mol
Exact Mass307.07
IUPAC Name3-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline
SMILESFc1cc2ncn(CCNc3cccc(Cl)c3)c2cc1F
InChIInChI=1S/C15H12ClF2N3/c16-10-2-1-3-11(6-10)19-4-5-21-9-20-14-7-12(17)13(18)8-15(14)21/h1-3,6-9,19H,4-5H2
InChIKeyUIIXBHUQXQOUKL-UHFFFAOYSA-N
XLogP4.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline?
The IUPAC name of 3-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline (CID 62564430) is 3-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline.
What is the SMILES notation for 3-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline?
The canonical SMILES for 3-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline is Fc1cc2ncn(CCNc3cccc(Cl)c3)c2cc1F.
What is the InChIKey of 3-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline?
The InChIKey is UIIXBHUQXQOUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3/c16-10-2-1-3-11(6-10)19-4-5-21-9-20-14-7-12(17)13(18)8-15(14)21/h1-3,6-9,19H,4-5H2.
What are the key properties of 3-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline?
3-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline has a molecular weight of 307.73 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline is sourced from PubChem (CID 62564430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).