2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanamine

C9H9ClFN3 — CID 126972905

IUPAC2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanamine
SMILESNCCc1nc2c(F)c(Cl)ccc2[nH]1
InChIInChI=1S/C9H9ClFN3/c10-5-1-2-6-9(8(5)11)14-7(13-6)3-4-12/h1-2H,3-4,12H2,(H,13,14)
InChIKeyXNGWLTOGGZUJQY-UHFFFAOYSA-N
MW213.64 g/mol
LogP1.86
Rot. Bonds2

About 2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanamine

2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanamine (PubChem CID 126972905) has the molecular formula C9H9ClFN3 and a molecular weight of 213.64 g/mol. Its IUPAC name is 2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanamine
PubChem CID126972905
Molecular FormulaC9H9ClFN3
Molecular Weight213.64 g/mol
Exact Mass213.05
IUPAC Name2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanamine
SMILESNCCc1nc2c(F)c(Cl)ccc2[nH]1
InChIInChI=1S/C9H9ClFN3/c10-5-1-2-6-9(8(5)11)14-7(13-6)3-4-12/h1-2H,3-4,12H2,(H,13,14)
InChIKeyXNGWLTOGGZUJQY-UHFFFAOYSA-N
XLogP1.86
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(chloromethyl)-4-fluoro-1H-benzimidazole
CID 130658186
2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)acetonitrile
CID 130987533
2-(4-chlorobutyl)-4,5-difluoro-1H-benzimidazole
CID 112556642
2-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 107272709
5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine
CID 112556455
2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole
CID 112556693
1-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
CID 114271711
1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine
CID 83857791
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
3-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline
CID 115911848
N-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 110477254

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanamine?
The IUPAC name of 2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanamine (CID 126972905) is 2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanamine is NCCc1nc2c(F)c(Cl)ccc2[nH]1.
What is the InChIKey of 2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanamine?
The InChIKey is XNGWLTOGGZUJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN3/c10-5-1-2-6-9(8(5)11)14-7(13-6)3-4-12/h1-2H,3-4,12H2,(H,13,14).
What are the key properties of 2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanamine?
2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanamine has a molecular weight of 213.64 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanamine is sourced from PubChem (CID 126972905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).