1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazol-2-amine

C12H10F3N5 — CID 115502131

IUPAC1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazol-2-amine
SMILESCn1cc(-n2c(N)nc3cc(C(F)(F)F)ccc32)cn1
InChIInChI=1S/C12H10F3N5/c1-19-6-8(5-17-19)20-10-3-2-7(12(13,14)15)4-9(10)18-11(20)16/h2-6H,1H3,(H2,16,18)
InChIKeyVWSSJUITPRCSMV-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.36
Rot. Bonds1

About 1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazol-2-amine

1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazol-2-amine (PubChem CID 115502131) has the molecular formula C12H10F3N5 and a molecular weight of 281.24 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazol-2-amine
PubChem CID115502131
Molecular FormulaC12H10F3N5
Molecular Weight281.24 g/mol
Exact Mass281.09
IUPAC Name1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazol-2-amine
SMILESCn1cc(-n2c(N)nc3cc(C(F)(F)F)ccc32)cn1
InChIInChI=1S/C12H10F3N5/c1-19-6-8(5-17-19)20-10-3-2-7(12(13,14)15)4-9(10)18-11(20)16/h2-6H,1H3,(H2,16,18)
InChIKeyVWSSJUITPRCSMV-UHFFFAOYSA-N
XLogP2.36
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazol-2-amine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazol-2-amine (CID 115502131) is 1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazol-2-amine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazol-2-amine is Cn1cc(-n2c(N)nc3cc(C(F)(F)F)ccc32)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazol-2-amine?
The InChIKey is VWSSJUITPRCSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5/c1-19-6-8(5-17-19)20-10-3-2-7(12(13,14)15)4-9(10)18-11(20)16/h2-6H,1H3,(H2,16,18).
What are the key properties of 1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazol-2-amine?
1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazol-2-amine has a molecular weight of 281.24 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazol-2-amine is sourced from PubChem (CID 115502131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).