N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol

C97H82F6N26O4 — CID 158844509

IUPACN-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol
SMILESCC(=O)c1ccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)cc1.CC(O)c1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(CN)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(CO)cc2)n1.OCc1nc2ccccn2c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H16F3N5O.C20H17N5O.C19H14F3N5O.C19H18N6.C19H17N5O/c1-12(29)19-26-15-4-2-3-5-16(15)28(19)18-11-24-10-17(27-18)25-14-8-6-13(7-9-14)20(21,22)23;1-13(26)15-7-9-16(10-8-15)23-19-11-21-12-20(24-19)25-14(2)22-17-5-3-4-6-18(17)25;20-19(21,22)12-4-6-13(7-5-12)24-16-10-23-9-14(25-16)18-15(11-28)26-17-3-1-2-8-27(17)18;1-13-22-16-4-2-3-5-17(16)25(13)19-12-21-11-18(24-19)23-15-8-6-14(10-20)7-9-15;1-13-21-16-4-2-3-5-17(16)24(13)19-11-20-10-18(23-19)22-15-8-6-14(12-25)7-9-15/h2-12,29H,1H3,(H,25,27);3-12H,1-2H3,(H,23,24);1-10,28H,11H2,(H,24,25);2-9,11-12H,10,20H2,1H3,(H,23,24);2-11,25H,12H2,1H3,(H,22,23)
InChIKeyIYQQNIPACCHRLO-UHFFFAOYSA-N
MW1789.89 g/mol
LogP19.43
Rot. Bonds20

About N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol

N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol (PubChem CID 158844509) has the molecular formula C97H82F6N26O4 and a molecular weight of 1789.89 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol
PubChem CID158844509
Molecular FormulaC97H82F6N26O4
Molecular Weight1789.89 g/mol
Exact Mass1788.69
IUPAC NameN-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol
SMILESCC(=O)c1ccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)cc1.CC(O)c1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(CN)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(CO)cc2)n1.OCc1nc2ccccn2c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H16F3N5O.C20H17N5O.C19H14F3N5O.C19H18N6.C19H17N5O/c1-12(29)19-26-15-4-2-3-5-16(15)28(19)18-11-24-10-17(27-18)25-14-8-6-13(7-9-14)20(21,22)23;1-13(26)15-7-9-16(10-8-15)23-19-11-21-12-20(24-19)25-14(2)22-17-5-3-4-6-18(17)25;20-19(21,22)12-4-6-13(7-5-12)24-16-10-23-9-14(25-16)18-15(11-28)26-17-3-1-2-8-27(17)18;1-13-22-16-4-2-3-5-17(16)25(13)19-12-21-11-18(24-19)23-15-8-6-14(10-20)7-9-15;1-13-21-16-4-2-3-5-17(16)24(13)19-11-20-10-18(23-19)22-15-8-6-14(12-25)7-9-15/h2-12,29H,1H3,(H,25,27);3-12H,1-2H3,(H,23,24);1-10,28H,11H2,(H,24,25);2-9,11-12H,10,20H2,1H3,(H,23,24);2-11,25H,12H2,1H3,(H,22,23)
InChIKeyIYQQNIPACCHRLO-UHFFFAOYSA-N
XLogP19.43
TPSA381.41 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms133
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001789.89
LogP ≤ 519.43
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Analyze N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol?
The IUPAC name of N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol (CID 158844509) is N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol is CC(=O)c1ccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)cc1.CC(O)c1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(CN)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(CO)cc2)n1.OCc1nc2ccccn2c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol?
The InChIKey is IYQQNIPACCHRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O.C20H17N5O.C19H14F3N5O.C19H18N6.C19H17N5O/c1-12(29)19-26-15-4-2-3-5-16(15)28(19)18-11-24-10-17(27-18)25-14-8-6-13(7-9-14)20(21,22)23;1-13(26)15-7-9-16(10-8-15)23-19-11-21-12-20(24-19)25-14(2)22-17-5-3-4-6-18(17)25;20-19(21,22)12-4-6-13(7-5-12)24-16-10-23-9-14(25-16)18-15(11-28)26-17-3-1-2-8-27(17)18;1-13-22-16-4-2-3-5-17(16)25(13)19-12-21-11-18(24-19)23-15-8-6-14(10-20)7-9-15;1-13-21-16-4-2-3-5-17(16)24(13)19-11-20-10-18(23-19)22-15-8-6-14(12-25)7-9-15/h2-12,29H,1H3,(H,25,27);3-12H,1-2H3,(H,23,24);1-10,28H,11H2,(H,24,25);2-9,11-12H,10,20H2,1H3,(H,23,24);2-11,25H,12H2,1H3,(H,22,23).
What are the key properties of N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol?
N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol has a molecular weight of 1789.89 g/mol, XLogP of 19.43, 20 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol is sourced from PubChem (CID 158844509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).