N-[4-(difluoromethyl)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine

C19H14F3N5 — CID 118101485

IUPACN-[4-(difluoromethyl)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine
SMILESCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)F)c(F)c2)n1
InChIInChI=1S/C19H14F3N5/c1-11-24-15-4-2-3-5-16(15)27(11)18-10-23-9-17(26-18)25-12-6-7-13(19(21)22)14(20)8-12/h2-10,19H,1H3,(H,25,26)
InChIKeyPXLWBCZPVLKXPI-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.94
Rot. Bonds4

About N-[4-(difluoromethyl)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine

N-[4-(difluoromethyl)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine (PubChem CID 118101485) has the molecular formula C19H14F3N5 and a molecular weight of 369.35 g/mol. Its IUPAC name is N-[4-(difluoromethyl)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[4-(difluoromethyl)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine
PubChem CID118101485
Molecular FormulaC19H14F3N5
Molecular Weight369.35 g/mol
Exact Mass369.12
IUPAC NameN-[4-(difluoromethyl)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine
SMILESCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)F)c(F)c2)n1
InChIInChI=1S/C19H14F3N5/c1-11-24-15-4-2-3-5-16(15)27(11)18-10-23-9-17(26-18)25-12-6-7-13(19(21)22)14(20)8-12/h2-10,19H,1H3,(H,25,26)
InChIKeyPXLWBCZPVLKXPI-UHFFFAOYSA-N
XLogP4.94
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol
CID 118101422
6-(2-methylbenzimidazol-1-yl)-N-[3-nitro-4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094532
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
4-methyl-1-N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]benzene-1,2-diamine
CID 118094461
6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 73427235
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
4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid
CID 122555256
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
6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazin-2-amine
CID 118095044
6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094427
N-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine
CID 118094752

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethyl)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine?
The IUPAC name of N-[4-(difluoromethyl)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine (CID 118101485) is N-[4-(difluoromethyl)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine.
What is the SMILES notation for N-[4-(difluoromethyl)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine?
The canonical SMILES for N-[4-(difluoromethyl)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine is Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)F)c(F)c2)n1.
What is the InChIKey of N-[4-(difluoromethyl)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine?
The InChIKey is PXLWBCZPVLKXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5/c1-11-24-15-4-2-3-5-16(15)27(11)18-10-23-9-17(26-18)25-12-6-7-13(19(21)22)14(20)8-12/h2-10,19H,1H3,(H,25,26).
What are the key properties of N-[4-(difluoromethyl)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine?
N-[4-(difluoromethyl)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine has a molecular weight of 369.35 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethyl)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 118101485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).