4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine

C13H11FN4 — CID 60788968

IUPAC4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1Cc1ccccn1
InChIInChI=1S/C13H11FN4/c14-10-5-3-6-11-12(10)17-13(15)18(11)8-9-4-1-2-7-16-9/h1-7H,8H2,(H2,15,17)
InChIKeyIIQNXGZEYMKRKO-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.20
Rot. Bonds2

About 4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine

4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine (PubChem CID 60788968) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
PubChem CID60788968
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1Cc1ccccn1
InChIInChI=1S/C13H11FN4/c14-10-5-3-6-11-12(10)17-13(15)18(11)8-9-4-1-2-7-16-9/h1-7H,8H2,(H2,15,17)
InChIKeyIIQNXGZEYMKRKO-UHFFFAOYSA-N
XLogP2.20
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 54920355
1-[(3-ethyl-2-pyridinyl)methyl]-4-fluorobenzimidazol-2-amine
CID 82742340
1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine
CID 60789953
4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
CID 55171384
5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
CID 66087655
2-(chloromethyl)-4-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole
CID 60789969
4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
CID 106406056
4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 54934889
1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine
CID 61380518
4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008397
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
methyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate
CID 60789228

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine (CID 60788968) is 4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine is Nc1nc2c(F)cccc2n1Cc1ccccn1.
What is the InChIKey of 4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine?
The InChIKey is IIQNXGZEYMKRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c14-10-5-3-6-11-12(10)17-13(15)18(11)8-9-4-1-2-7-16-9/h1-7H,8H2,(H2,15,17).
What are the key properties of 4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine?
4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine has a molecular weight of 242.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 60788968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).