1-(1,3-dimethylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine

C12H12FN5 — CID 102806335

IUPAC1-(1,3-dimethylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine
SMILESCc1nn(C)cc1-n1c(N)nc2c(F)cccc21
InChIInChI=1S/C12H12FN5/c1-7-10(6-17(2)16-7)18-9-5-3-4-8(13)11(9)15-12(18)14/h3-6H,1-2H3,(H2,14,15)
InChIKeyXTHGSXGWSUDTBY-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.79
Rot. Bonds1

About 1-(1,3-dimethylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine

1-(1,3-dimethylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine (PubChem CID 102806335) has the molecular formula C12H12FN5 and a molecular weight of 245.26 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine
PubChem CID102806335
Molecular FormulaC12H12FN5
Molecular Weight245.26 g/mol
Exact Mass245.11
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine
SMILESCc1nn(C)cc1-n1c(N)nc2c(F)cccc21
InChIInChI=1S/C12H12FN5/c1-7-10(6-17(2)16-7)18-9-5-3-4-8(13)11(9)15-12(18)14/h3-6H,1-2H3,(H2,14,15)
InChIKeyXTHGSXGWSUDTBY-UHFFFAOYSA-N
XLogP1.79
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine
CID 107463913
1-(2,3-difluorophenyl)-4-fluorobenzimidazol-2-amine
CID 61075406
1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60789713
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
1-(2-bromo-5-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 81275061
1-(4-bromo-2-ethylphenyl)-4-fluorobenzimidazol-2-amine
CID 81288933
7-chloro-1-(1,3-dimethylpyrazol-4-yl)benzimidazol-2-amine
CID 102806317
1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60790457
6-(1,3-dimethylpyrazol-4-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 102806342
4-fluoro-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazol-2-amine
CID 80688567
4-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine
CID 104837243
2-(1-chloroethyl)-1-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzimidazole
CID 102806450

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine (CID 102806335) is 1-(1,3-dimethylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine is Cc1nn(C)cc1-n1c(N)nc2c(F)cccc21.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine?
The InChIKey is XTHGSXGWSUDTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5/c1-7-10(6-17(2)16-7)18-9-5-3-4-8(13)11(9)15-12(18)14/h3-6H,1-2H3,(H2,14,15).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine?
1-(1,3-dimethylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine has a molecular weight of 245.26 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine is sourced from PubChem (CID 102806335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).