6-(2-methylbenzimidazol-1-yl)-N-[3-nitro-4-(trifluoromethyl)phenyl]pyrazin-2-amine

C19H13F3N6O2 — CID 118094532

IUPAC6-(2-methylbenzimidazol-1-yl)-N-[3-nitro-4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)n1
InChIInChI=1S/C19H13F3N6O2/c1-11-24-14-4-2-3-5-15(14)27(11)18-10-23-9-17(26-18)25-12-6-7-13(19(20,21)22)16(8-12)28(29)30/h2-10H,1H3,(H,25,26)
InChIKeyLAVNYARYWALUIC-UHFFFAOYSA-N
MW414.35 g/mol
LogP4.79
Rot. Bonds4

About 6-(2-methylbenzimidazol-1-yl)-N-[3-nitro-4-(trifluoromethyl)phenyl]pyrazin-2-amine

6-(2-methylbenzimidazol-1-yl)-N-[3-nitro-4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 118094532) has the molecular formula C19H13F3N6O2 and a molecular weight of 414.35 g/mol. Its IUPAC name is 6-(2-methylbenzimidazol-1-yl)-N-[3-nitro-4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(2-methylbenzimidazol-1-yl)-N-[3-nitro-4-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID118094532
Molecular FormulaC19H13F3N6O2
Molecular Weight414.35 g/mol
Exact Mass414.11
IUPAC Name6-(2-methylbenzimidazol-1-yl)-N-[3-nitro-4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)n1
InChIInChI=1S/C19H13F3N6O2/c1-11-24-14-4-2-3-5-15(14)27(11)18-10-23-9-17(26-18)25-12-6-7-13(19(20,21)22)16(8-12)28(29)30/h2-10H,1H3,(H,25,26)
InChIKeyLAVNYARYWALUIC-UHFFFAOYSA-N
XLogP4.79
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol
CID 118101422
N-[4-(difluoromethyl)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine
CID 118101485
6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094427
N-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine
CID 118094951
6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 73427235
6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095066
6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094765
4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide
CID 146432635
6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095062
4-methyl-1-N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]benzene-1,2-diamine
CID 118094461
6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine
CID 118094365
6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)pyrazin-2-amine
CID 118094337

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbenzimidazol-1-yl)-N-[3-nitro-4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of 6-(2-methylbenzimidazol-1-yl)-N-[3-nitro-4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 118094532) is 6-(2-methylbenzimidazol-1-yl)-N-[3-nitro-4-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 6-(2-methylbenzimidazol-1-yl)-N-[3-nitro-4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 6-(2-methylbenzimidazol-1-yl)-N-[3-nitro-4-(trifluoromethyl)phenyl]pyrazin-2-amine is Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)n1.
What is the InChIKey of 6-(2-methylbenzimidazol-1-yl)-N-[3-nitro-4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is LAVNYARYWALUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6O2/c1-11-24-14-4-2-3-5-15(14)27(11)18-10-23-9-17(26-18)25-12-6-7-13(19(20,21)22)16(8-12)28(29)30/h2-10H,1H3,(H,25,26).
What are the key properties of 6-(2-methylbenzimidazol-1-yl)-N-[3-nitro-4-(trifluoromethyl)phenyl]pyrazin-2-amine?
6-(2-methylbenzimidazol-1-yl)-N-[3-nitro-4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 414.35 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbenzimidazol-1-yl)-N-[3-nitro-4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 118094532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).