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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Related Compounds

4-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline
CID 62564267
2-(5,6-difluorobenzimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 62564103
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole
CID 31788167
N-(dicyclopropylmethyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanamine
CID 62564119
N-[4-(5,6-difluorobenzimidazol-1-yl)butyl]cyclopropanamine
CID 62564114
5-bromo-3-[2-(3-chloroanilino)ethyl]pyrimidin-4-one
CID 66310647
N'-(3-chlorophenyl)ethane-1,2-diamine
CID 11008376
3-(5,6-difluorobenzimidazol-1-yl)propan-1-ol
CID 110892023
1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol
CID 110884989
5,6-difluoro-1-(2-methylsulfanylethyl)benzimidazole
CID 115578027
3-chloro-N-[2-(3,4-difluorophenoxy)ethyl]aniline
CID 62597196

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).