6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine

C38H27Cl2F5N10O2 — CID 118094666

IUPAC6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
SMILESCc1nc2ccc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1.Cc1nc2ccc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C19H13ClF3N5O.C19H14ClF2N5O/c1-11-25-15-7-2-12(20)8-16(15)28(11)18-10-24-9-17(27-18)26-13-3-5-14(6-4-13)29-19(21,22)23;1-11-24-15-7-2-12(20)8-16(15)27(11)18-10-23-9-17(26-18)25-13-3-5-14(6-4-13)28-19(21)22/h2-10H,1H3,(H,26,27);2-10,19H,1H3,(H,25,26)
InChIKeyCJENMBHBFRBJDW-UHFFFAOYSA-N
MW821.60 g/mol
LogP10.54
Rot. Bonds9

About 6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine

6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine (PubChem CID 118094666) has the molecular formula C38H27Cl2F5N10O2 and a molecular weight of 821.60 g/mol. Its IUPAC name is 6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
PubChem CID118094666
Molecular FormulaC38H27Cl2F5N10O2
Molecular Weight821.60 g/mol
Exact Mass820.16
IUPAC Name6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
SMILESCc1nc2ccc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1.Cc1nc2ccc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C19H13ClF3N5O.C19H14ClF2N5O/c1-11-25-15-7-2-12(20)8-16(15)28(11)18-10-24-9-17(27-18)26-13-3-5-14(6-4-13)29-19(21,22)23;1-11-24-15-7-2-12(20)8-16(15)27(11)18-10-23-9-17(26-18)25-13-3-5-14(6-4-13)28-19(21)22/h2-10H,1H3,(H,26,27);2-10,19H,1H3,(H,25,26)
InChIKeyCJENMBHBFRBJDW-UHFFFAOYSA-N
XLogP10.54
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500821.60
LogP ≤ 510.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The IUPAC name of 6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine (CID 118094666) is 6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine.
What is the SMILES notation for 6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The canonical SMILES for 6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine is Cc1nc2ccc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1.Cc1nc2ccc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The InChIKey is CJENMBHBFRBJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N5O.C19H14ClF2N5O/c1-11-25-15-7-2-12(20)8-16(15)28(11)18-10-24-9-17(27-18)26-13-3-5-14(6-4-13)29-19(21,22)23;1-11-24-15-7-2-12(20)8-16(15)27(11)18-10-23-9-17(26-18)25-13-3-5-14(6-4-13)28-19(21)22/h2-10H,1H3,(H,26,27);2-10,19H,1H3,(H,25,26).
What are the key properties of 6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine has a molecular weight of 821.60 g/mol, XLogP of 10.54, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine is sourced from PubChem (CID 118094666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).