1-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine

C13H14FN5 — CID 107463913

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine
SMILESCCc1nn(C)cc1-n1c(N)nc2c(F)cccc21
InChIInChI=1S/C13H14FN5/c1-3-9-11(7-18(2)17-9)19-10-6-4-5-8(14)12(10)16-13(19)15/h4-7H,3H2,1-2H3,(H2,15,16)
InChIKeyIYRDHYVZEMJEKD-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.04
Rot. Bonds2

About 1-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine

1-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine (PubChem CID 107463913) has the molecular formula C13H14FN5 and a molecular weight of 259.29 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine
PubChem CID107463913
Molecular FormulaC13H14FN5
Molecular Weight259.29 g/mol
Exact Mass259.12
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine
SMILESCCc1nn(C)cc1-n1c(N)nc2c(F)cccc21
InChIInChI=1S/C13H14FN5/c1-3-9-11(7-18(2)17-9)19-10-6-4-5-8(14)12(10)16-13(19)15/h4-7H,3H2,1-2H3,(H2,15,16)
InChIKeyIYRDHYVZEMJEKD-UHFFFAOYSA-N
XLogP2.04
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine
CID 102806335
1-(2,3-difluorophenyl)-4-fluorobenzimidazol-2-amine
CID 61075406
1-(4-bromo-2-ethylphenyl)-4-fluorobenzimidazol-2-amine
CID 81288933
1-(3-ethyl-1-methylpyrazol-4-yl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 107463943
1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60789713
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
1-(3-ethyl-1-methylpyrazol-4-yl)-5-methoxybenzimidazol-2-amine
CID 107463924
1-(2-bromo-5-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 81275061
4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 54934889
4-fluoro-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazol-2-amine
CID 80688567
ethane;2-ethyl-4-fluoro-1-methylbenzimidazole
CID 176704050
1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60790457

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine (CID 107463913) is 1-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine is CCc1nn(C)cc1-n1c(N)nc2c(F)cccc21.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine?
The InChIKey is IYRDHYVZEMJEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5/c1-3-9-11(7-18(2)17-9)19-10-6-4-5-8(14)12(10)16-13(19)15/h4-7H,3H2,1-2H3,(H2,15,16).
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine?
1-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine has a molecular weight of 259.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine is sourced from PubChem (CID 107463913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).