5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine

C14H13FN4 — CID 43662111

IUPAC5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
SMILESCC(c1ccccn1)n1c(N)nc2cc(F)ccc21
InChIInChI=1S/C14H13FN4/c1-9(11-4-2-3-7-17-11)19-13-6-5-10(15)8-12(13)18-14(19)16/h2-9H,1H3,(H2,16,18)
InChIKeyMSSDUYRPFQVGEW-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.76
Rot. Bonds2

About 5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine

5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine (PubChem CID 43662111) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
PubChem CID43662111
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
SMILESCC(c1ccccn1)n1c(N)nc2cc(F)ccc21
InChIInChI=1S/C14H13FN4/c1-9(11-4-2-3-7-17-11)19-13-6-5-10(15)8-12(13)18-14(19)16/h2-9H,1H3,(H2,16,18)
InChIKeyMSSDUYRPFQVGEW-UHFFFAOYSA-N
XLogP2.76
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
CID 66077919
6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
CID 116738133
2-(chloromethyl)-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazole
CID 62378078
5-methyl-3-(1-pyridin-2-ylethyl)imidazo[4,5-b]pyridin-2-amine
CID 81138308
5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
CID 43667590
5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazol-2-amine
CID 43662119
5-fluoro-1-[1-(3-fluorophenyl)ethyl]-6-methylbenzimidazol-2-amine
CID 103592825
4-N-[1-(5-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 67451169
4-methyl-1-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 106562251
2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole
CID 43660125
1-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzimidazol-2-amine
CID 62990352
1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110452657

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine?
The IUPAC name of 5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine (CID 43662111) is 5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine is CC(c1ccccn1)n1c(N)nc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine?
The InChIKey is MSSDUYRPFQVGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-9(11-4-2-3-7-17-11)19-13-6-5-10(15)8-12(13)18-14(19)16/h2-9H,1H3,(H2,16,18).
What are the key properties of 5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine?
5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine has a molecular weight of 256.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 43662111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).