6-(2-isocyanobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanol;(NE)-N-[1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethylidene]hydroxylamine;4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine

C99H72F15N27O4 — CID 172986478

IUPAC6-(2-isocyanobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanol;(NE)-N-[1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethylidene]hydroxylamine;4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine
SMILESC/C(=N\O)c1ccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)cc1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(C)O)cc2)n1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.O=[N+]([O-])c1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.[C-]#[N+]c1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H11F6N5O2.C20H13F6N5.C20H18N6O.C20H19N5O.C19H11F3N6/c21-19(22,23)11-4-6-12(7-5-11)27-15-10-13(31(32)33)9-14(28-15)17-18(20(24,25)26)29-16-3-1-2-8-30(16)17;21-19(22,23)11-4-6-13(7-5-11)28-15-10-12(27)9-14(29-15)17-18(20(24,25)26)30-16-3-1-2-8-31(16)17;1-13(25-27)15-7-9-16(10-8-15)23-19-11-21-12-20(24-19)26-14(2)22-17-5-3-4-6-18(17)26;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;1-23-18-26-14-4-2-3-5-15(14)28(18)17-11-24-10-16(27-17)25-13-8-6-12(7-9-13)19(20,21)22/h1-10H,(H,27,28);1-10H,(H3,27,28,29);3-12,27H,1-2H3,(H,23,24);3-13,26H,1-2H3,(H,23,24);2-11H,(H,25,27)/b;;25-13+;;
InChIKeyQNSIVDFZOVOLDR-LJTOYOGJSA-N
MW1988.82 g/mol
LogP24.96
Rot. Bonds18

About 6-(2-isocyanobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanol;(NE)-N-[1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethylidene]hydroxylamine;4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine

6-(2-isocyanobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanol;(NE)-N-[1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethylidene]hydroxylamine;4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine (PubChem CID 172986478) has the molecular formula C99H72F15N27O4 and a molecular weight of 1988.82 g/mol. Its IUPAC name is 6-(2-isocyanobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanol;(NE)-N-[1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethylidene]hydroxylamine;4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name6-(2-isocyanobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanol;(NE)-N-[1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethylidene]hydroxylamine;4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine
PubChem CID172986478
Molecular FormulaC99H72F15N27O4
Molecular Weight1988.82 g/mol
Exact Mass1987.60
IUPAC Name6-(2-isocyanobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanol;(NE)-N-[1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethylidene]hydroxylamine;4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine
SMILESC/C(=N\O)c1ccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)cc1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(C)O)cc2)n1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.O=[N+]([O-])c1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.[C-]#[N+]c1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H11F6N5O2.C20H13F6N5.C20H18N6O.C20H19N5O.C19H11F3N6/c21-19(22,23)11-4-6-12(7-5-11)27-15-10-13(31(32)33)9-14(28-15)17-18(20(24,25)26)29-16-3-1-2-8-30(16)17;21-19(22,23)11-4-6-13(7-5-11)28-15-10-12(27)9-14(29-15)17-18(20(24,25)26)30-16-3-1-2-8-31(16)17;1-13(25-27)15-7-9-16(10-8-15)23-19-11-21-12-20(24-19)26-14(2)22-17-5-3-4-6-18(17)26;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;1-23-18-26-14-4-2-3-5-15(14)28(18)17-11-24-10-16(27-17)25-13-8-6-12(7-9-13)19(20,21)22/h1-10H,(H,27,28);1-10H,(H3,27,28,29);3-12,27H,1-2H3,(H,23,24);3-13,26H,1-2H3,(H,23,24);2-11H,(H,25,27)/b;;25-13+;;
InChIKeyQNSIVDFZOVOLDR-LJTOYOGJSA-N
XLogP24.96
TPSA377.67 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds18
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001988.82
LogP ≤ 524.96
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(2-isocyanobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanol;(NE)-N-[1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethylidene]hydroxylamine;4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-methylbenzimidazol-1-yl)-N-[3-nitro-4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094532
6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094427
[3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol
CID 118095083
4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 118101404
6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095062
[(1S)-1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethyl] acetate
CID 118101400
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
N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
CID 91799361
[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol
CID 118101422
6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 73427235
N-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine
CID 118094951

Frequently Asked Questions

What is the IUPAC name of 6-(2-isocyanobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanol;(NE)-N-[1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethylidene]hydroxylamine;4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine?
The IUPAC name of 6-(2-isocyanobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanol;(NE)-N-[1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethylidene]hydroxylamine;4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine (CID 172986478) is 6-(2-isocyanobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanol;(NE)-N-[1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethylidene]hydroxylamine;4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine.
What is the SMILES notation for 6-(2-isocyanobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanol;(NE)-N-[1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethylidene]hydroxylamine;4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine?
The canonical SMILES for 6-(2-isocyanobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanol;(NE)-N-[1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethylidene]hydroxylamine;4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine is C/C(=N\O)c1ccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)cc1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(C)O)cc2)n1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.O=[N+]([O-])c1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.[C-]#[N+]c1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-(2-isocyanobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanol;(NE)-N-[1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethylidene]hydroxylamine;4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine?
The InChIKey is QNSIVDFZOVOLDR-LJTOYOGJSA-N. The full InChI is InChI=1S/C20H11F6N5O2.C20H13F6N5.C20H18N6O.C20H19N5O.C19H11F3N6/c21-19(22,23)11-4-6-12(7-5-11)27-15-10-13(31(32)33)9-14(28-15)17-18(20(24,25)26)29-16-3-1-2-8-30(16)17;21-19(22,23)11-4-6-13(7-5-11)28-15-10-12(27)9-14(29-15)17-18(20(24,25)26)30-16-3-1-2-8-31(16)17;1-13(25-27)15-7-9-16(10-8-15)23-19-11-21-12-20(24-19)26-14(2)22-17-5-3-4-6-18(17)26;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;1-23-18-26-14-4-2-3-5-15(14)28(18)17-11-24-10-16(27-17)25-13-8-6-12(7-9-13)19(20,21)22/h1-10H,(H,27,28);1-10H,(H3,27,28,29);3-12,27H,1-2H3,(H,23,24);3-13,26H,1-2H3,(H,23,24);2-11H,(H,25,27)/b;;25-13+;;.
What are the key properties of 6-(2-isocyanobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanol;(NE)-N-[1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethylidene]hydroxylamine;4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine?
6-(2-isocyanobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanol;(NE)-N-[1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethylidene]hydroxylamine;4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine has a molecular weight of 1988.82 g/mol, XLogP of 24.96, 18 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-isocyanobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanol;(NE)-N-[1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethylidene]hydroxylamine;4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine is sourced from PubChem (CID 172986478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).