N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(4-aminophenyl)methyl]carbamate;tert-butyl N-[[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methyl]carbamate;1-(6-chloropyrazin-2-yl)-2-methylbenzimidazole

C67H71ClN18O4 — CID 158113292

IUPACN-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(4-aminophenyl)methyl]carbamate;tert-butyl N-[[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methyl]carbamate;1-(6-chloropyrazin-2-yl)-2-methylbenzimidazole
SMILESCC(C)(C)OC(=O)NCc1ccc(N)cc1.Cc1nc2ccccc2n1-c1cncc(Cl)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(CN)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(CNC(=O)OC(C)(C)C)cc2)n1
InChIInChI=1S/C24H26N6O2.C19H18N6.C12H9ClN4.C12H18N2O2/c1-16-27-19-7-5-6-8-20(19)30(16)22-15-25-14-21(29-22)28-18-11-9-17(10-12-18)13-26-23(31)32-24(2,3)4;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;1-8-15-9-4-2-3-5-10(9)17(8)12-7-14-6-11(13)16-12;1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9/h5-12,14-15H,13H2,1-4H3,(H,26,31)(H,28,29);2-9,11-12H,10,20H2,1H3,(H,23,24);2-7H,1H3;4-7H,8,13H2,1-3H3,(H,14,15)
InChIKeyFQRSMLRUYWFBSX-UHFFFAOYSA-N
MW1227.88 g/mol
LogP13.29
Rot. Bonds12

About N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(4-aminophenyl)methyl]carbamate;tert-butyl N-[[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methyl]carbamate;1-(6-chloropyrazin-2-yl)-2-methylbenzimidazole

N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(4-aminophenyl)methyl]carbamate;tert-butyl N-[[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methyl]carbamate;1-(6-chloropyrazin-2-yl)-2-methylbenzimidazole (PubChem CID 158113292) has the molecular formula C67H71ClN18O4 and a molecular weight of 1227.88 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(4-aminophenyl)methyl]carbamate;tert-butyl N-[[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methyl]carbamate;1-(6-chloropyrazin-2-yl)-2-methylbenzimidazole.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(4-aminophenyl)methyl]carbamate;tert-butyl N-[[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methyl]carbamate;1-(6-chloropyrazin-2-yl)-2-methylbenzimidazole
PubChem CID158113292
Molecular FormulaC67H71ClN18O4
Molecular Weight1227.88 g/mol
Exact Mass1226.56
IUPAC NameN-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(4-aminophenyl)methyl]carbamate;tert-butyl N-[[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methyl]carbamate;1-(6-chloropyrazin-2-yl)-2-methylbenzimidazole
SMILESCC(C)(C)OC(=O)NCc1ccc(N)cc1.Cc1nc2ccccc2n1-c1cncc(Cl)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(CN)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(CNC(=O)OC(C)(C)C)cc2)n1
InChIInChI=1S/C24H26N6O2.C19H18N6.C12H9ClN4.C12H18N2O2/c1-16-27-19-7-5-6-8-20(19)30(16)22-15-25-14-21(29-22)28-18-11-9-17(10-12-18)13-26-23(31)32-24(2,3)4;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;1-8-15-9-4-2-3-5-10(9)17(8)12-7-14-6-11(13)16-12;1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9/h5-12,14-15H,13H2,1-4H3,(H,26,31)(H,28,29);2-9,11-12H,10,20H2,1H3,(H,23,24);2-7H,1H3;4-7H,8,13H2,1-3H3,(H,14,15)
InChIKeyFQRSMLRUYWFBSX-UHFFFAOYSA-N
XLogP13.29
TPSA283.56 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001227.88
LogP ≤ 513.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(4-aminophenyl)methyl]carbamate;tert-butyl N-[[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methyl]carbamate;1-(6-chloropyrazin-2-yl)-2-methylbenzimidazole with MolForge

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Related Compounds

Tert-butyl 4-[4-[6-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazine-1-carboxylate
CID 57398409
US10894784, Example 28.01
CID 129245241
US10894784, Example 177.01
CID 129245243
US10894784, Example 144.01
CID 129245309
US10894784, Example 130.01
CID 129245487
US10894784, Example 186.01
CID 129245593
US10894784, Example 149.01
CID 129261707
US10894784, Example 150.01
CID 129261708
US10894784, Example 117.01
CID 129261773
US10894784, Example 181.01
CID 129261884
t-Butyl 4-(6-((5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1h-benzo[d]imidazol-6-yl)pyrimidin-2-yl)amino)-pyridin-3-yl)piperazine-1-carboxylate
CID 138741316
US10894784, Example 179.01
CID 129245433

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(4-aminophenyl)methyl]carbamate;tert-butyl N-[[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methyl]carbamate;1-(6-chloropyrazin-2-yl)-2-methylbenzimidazole?
The IUPAC name of N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(4-aminophenyl)methyl]carbamate;tert-butyl N-[[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methyl]carbamate;1-(6-chloropyrazin-2-yl)-2-methylbenzimidazole (CID 158113292) is N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(4-aminophenyl)methyl]carbamate;tert-butyl N-[[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methyl]carbamate;1-(6-chloropyrazin-2-yl)-2-methylbenzimidazole.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(4-aminophenyl)methyl]carbamate;tert-butyl N-[[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methyl]carbamate;1-(6-chloropyrazin-2-yl)-2-methylbenzimidazole?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(4-aminophenyl)methyl]carbamate;tert-butyl N-[[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methyl]carbamate;1-(6-chloropyrazin-2-yl)-2-methylbenzimidazole is CC(C)(C)OC(=O)NCc1ccc(N)cc1.Cc1nc2ccccc2n1-c1cncc(Cl)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(CN)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(CNC(=O)OC(C)(C)C)cc2)n1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(4-aminophenyl)methyl]carbamate;tert-butyl N-[[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methyl]carbamate;1-(6-chloropyrazin-2-yl)-2-methylbenzimidazole?
The InChIKey is FQRSMLRUYWFBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2.C19H18N6.C12H9ClN4.C12H18N2O2/c1-16-27-19-7-5-6-8-20(19)30(16)22-15-25-14-21(29-22)28-18-11-9-17(10-12-18)13-26-23(31)32-24(2,3)4;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;1-8-15-9-4-2-3-5-10(9)17(8)12-7-14-6-11(13)16-12;1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9/h5-12,14-15H,13H2,1-4H3,(H,26,31)(H,28,29);2-9,11-12H,10,20H2,1H3,(H,23,24);2-7H,1H3;4-7H,8,13H2,1-3H3,(H,14,15).
What are the key properties of N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(4-aminophenyl)methyl]carbamate;tert-butyl N-[[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methyl]carbamate;1-(6-chloropyrazin-2-yl)-2-methylbenzimidazole?
N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(4-aminophenyl)methyl]carbamate;tert-butyl N-[[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methyl]carbamate;1-(6-chloropyrazin-2-yl)-2-methylbenzimidazole has a molecular weight of 1227.88 g/mol, XLogP of 13.29, 12 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;tert-butyl N-[(4-aminophenyl)methyl]carbamate;tert-butyl N-[[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methyl]carbamate;1-(6-chloropyrazin-2-yl)-2-methylbenzimidazole is sourced from PubChem (CID 158113292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).