6-bromo-2-cyclopropyl-1-methylbenzimidazole;4-bromo-2-fluoro-1-nitrobenzene;4-bromo-2-N-methylbenzene-1,2-diamine;5-bromo-N-methyl-2-nitroaniline;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(2-cyclopropyl-3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopropanecarboxylic acid;2-cyclopropyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;methanamine

C92H103BBr4Cl3FN20O10 — CID 160803463

IUPAC6-bromo-2-cyclopropyl-1-methylbenzimidazole;4-bromo-2-fluoro-1-nitrobenzene;4-bromo-2-N-methylbenzene-1,2-diamine;5-bromo-N-methyl-2-nitroaniline;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(2-cyclopropyl-3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopropanecarboxylic acid;2-cyclopropyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;methanamine
SMILESCN.CNc1cc(Br)ccc1N.CNc1cc(Br)ccc1[N+](=O)[O-].Clc1ccc(Nc2cc(Cl)nc(N3CCOCC3)n2)cc1.Cn1c(C2CC2)nc2ccc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)cc21.Cn1c(C2CC2)nc2ccc(B3OC(C)(C)C(C)(C)O3)cc21.Cn1c(C2CC2)nc2ccc(Br)cc21.O=C(O)C1CC1.O=[N+]([O-])c1ccc(Br)cc1F
InChIInChI=1S/C25H25ClN6O.C17H23BN2O2.C14H14Cl2N4O.C11H11BrN2.C7H7BrN2O2.C7H9BrN2.C6H3BrFNO2.C4H6O2.CH5N/c1-31-22-14-17(4-9-20(22)28-24(31)16-2-3-16)21-15-23(27-19-7-5-18(26)6-8-19)30-25(29-21)32-10-12-33-13-11-32;1-16(2)17(3,4)22-18(21-16)12-8-9-13-14(10-12)20(5)15(19-13)11-6-7-11;15-10-1-3-11(4-2-10)17-13-9-12(16)18-14(19-13)20-5-7-21-8-6-20;1-14-10-6-8(12)4-5-9(10)13-11(14)7-2-3-7;1-9-6-4-5(8)2-3-7(6)10(11)12;1-10-7-4-5(8)2-3-6(7)9;7-4-1-2-6(9(10)11)5(8)3-4;5-4(6)3-1-2-3;1-2/h4-9,14-16H,2-3,10-13H2,1H3,(H,27,29,30);8-11H,6-7H2,1-5H3;1-4,9H,5-8H2,(H,17,18,19);4-7H,2-3H2,1H3;2-4,9H,1H3;2-4,10H,9H2,1H3;1-3H;3H,1-2H2,(H,5,6);2H2,1H3
InChIKeySDJQKFFMDGLOPK-UHFFFAOYSA-N
MW2104.75 g/mol
LogP21.49
Rot. Bonds16

About 6-bromo-2-cyclopropyl-1-methylbenzimidazole;4-bromo-2-fluoro-1-nitrobenzene;4-bromo-2-N-methylbenzene-1,2-diamine;5-bromo-N-methyl-2-nitroaniline;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(2-cyclopropyl-3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopropanecarboxylic acid;2-cyclopropyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;methanamine

6-bromo-2-cyclopropyl-1-methylbenzimidazole;4-bromo-2-fluoro-1-nitrobenzene;4-bromo-2-N-methylbenzene-1,2-diamine;5-bromo-N-methyl-2-nitroaniline;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(2-cyclopropyl-3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopropanecarboxylic acid;2-cyclopropyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;methanamine (PubChem CID 160803463) has the molecular formula C92H103BBr4Cl3FN20O10 and a molecular weight of 2104.75 g/mol. Its IUPAC name is 6-bromo-2-cyclopropyl-1-methylbenzimidazole;4-bromo-2-fluoro-1-nitrobenzene;4-bromo-2-N-methylbenzene-1,2-diamine;5-bromo-N-methyl-2-nitroaniline;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(2-cyclopropyl-3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopropanecarboxylic acid;2-cyclopropyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;methanamine.

Molecular Properties

Compound Name6-bromo-2-cyclopropyl-1-methylbenzimidazole;4-bromo-2-fluoro-1-nitrobenzene;4-bromo-2-N-methylbenzene-1,2-diamine;5-bromo-N-methyl-2-nitroaniline;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(2-cyclopropyl-3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopropanecarboxylic acid;2-cyclopropyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;methanamine
PubChem CID160803463
Molecular FormulaC92H103BBr4Cl3FN20O10
Molecular Weight2104.75 g/mol
Exact Mass2098.40
IUPAC Name6-bromo-2-cyclopropyl-1-methylbenzimidazole;4-bromo-2-fluoro-1-nitrobenzene;4-bromo-2-N-methylbenzene-1,2-diamine;5-bromo-N-methyl-2-nitroaniline;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(2-cyclopropyl-3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopropanecarboxylic acid;2-cyclopropyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;methanamine
SMILESCN.CNc1cc(Br)ccc1N.CNc1cc(Br)ccc1[N+](=O)[O-].Clc1ccc(Nc2cc(Cl)nc(N3CCOCC3)n2)cc1.Cn1c(C2CC2)nc2ccc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)cc21.Cn1c(C2CC2)nc2ccc(B3OC(C)(C)C(C)(C)O3)cc21.Cn1c(C2CC2)nc2ccc(Br)cc21.O=C(O)C1CC1.O=[N+]([O-])c1ccc(Br)cc1F
InChIInChI=1S/C25H25ClN6O.C17H23BN2O2.C14H14Cl2N4O.C11H11BrN2.C7H7BrN2O2.C7H9BrN2.C6H3BrFNO2.C4H6O2.CH5N/c1-31-22-14-17(4-9-20(22)28-24(31)16-2-3-16)21-15-23(27-19-7-5-18(26)6-8-19)30-25(29-21)32-10-12-33-13-11-32;1-16(2)17(3,4)22-18(21-16)12-8-9-13-14(10-12)20(5)15(19-13)11-6-7-11;15-10-1-3-11(4-2-10)17-13-9-12(16)18-14(19-13)20-5-7-21-8-6-20;1-14-10-6-8(12)4-5-9(10)13-11(14)7-2-3-7;1-9-6-4-5(8)2-3-7(6)10(11)12;1-10-7-4-5(8)2-3-6(7)9;7-4-1-2-6(9(10)11)5(8)3-4;5-4(6)3-1-2-3;1-2/h4-9,14-16H,2-3,10-13H2,1H3,(H,27,29,30);8-11H,6-7H2,1-5H3;1-4,9H,5-8H2,(H,17,18,19);4-7H,2-3H2,1H3;2-4,9H,1H3;2-4,10H,9H2,1H3;1-3H;3H,1-2H2,(H,5,6);2H2,1H3
InChIKeySDJQKFFMDGLOPK-UHFFFAOYSA-N
XLogP21.49
TPSA372.16 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds16
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002104.75
LogP ≤ 521.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-bromo-2-cyclopropyl-1-methylbenzimidazole;4-bromo-2-fluoro-1-nitrobenzene;4-bromo-2-N-methylbenzene-1,2-diamine;5-bromo-N-methyl-2-nitroaniline;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(2-cyclopropyl-3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopropanecarboxylic acid;2-cyclopropyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;methanamine with MolForge

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Related Compounds

4-bromo-2-N-(cyclopropylmethyl)benzene-1,2-diamine;6-bromo-1-(cyclopropylmethyl)-2-methylbenzimidazole;5-bromo-N-(cyclopropylmethyl)-2-nitroaniline;4-bromo-2-fluoro-1-nitrobenzene;6-chloro-N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine;cyclopropylmethanamine;6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine;1-(cyclopropylmethyl)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
CID 158704319
6-bromo-2-(3-chloropropyl)-1-methylbenzimidazole;4-bromo-2-N-methylbenzene-1,2-diamine;4-[3-(6-bromo-1-methylbenzimidazol-2-yl)propyl]morpholine;4-chlorobutanoyl chloride;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[3-methyl-2-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;4-[3-[1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-2-yl]propyl]morpholine;morpholine
CID 160362826
4-bromo-1-fluoro-2-nitrobenzene;5-bromo-3-methyl-1-(2-morpholin-4-ylethyl)benzimidazol-2-one;4-bromo-1-N-(2-morpholin-4-ylethyl)benzene-1,2-diamine;6-bromo-3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one;4-bromo-N-(2-morpholin-4-ylethyl)-2-nitroaniline;5-[6-(4-chloroanilino)-2-morpholin-4-ylpyrimidin-4-yl]-3-methyl-1-(2-morpholin-4-ylethyl)benzimidazol-2-one;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;deuterio(iodo)methane;dioxoplatinum;3-methyl-1-(2-morpholin-4-ylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-2-one;2-morpholin-4-ylethanamine
CID 160478295
4-bromo-2-N-(cyclopropylmethyl)benzene-1,2-diamine;5-bromo-3-(cyclopropylmethyl)-2-methyl-3H-indole;5-bromo-N-(cyclopropylmethyl)-2-nitroaniline;4-bromo-2-fluoro-1-nitrobenzene;4-[4-chloro-6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]morpholine;cyclopropylmethanamine;N-[6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine;1-(cyclopropylmethyl)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;4-(4,6-dichloropyrimidin-2-yl)morpholine;1-methylindol-6-amine
CID 161069582
4-bromo-2-N-cyclopropylbenzene-1,2-diamine;6-bromo-1-cyclopropylbenzimidazole;5-bromo-N-cyclopropyl-2-nitroaniline;4-bromo-2-fluoro-1-nitrobenzene;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-cyclopropylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopropanamine;1-cyclopropyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
CID 161150655
4-bromo-2-fluoro-1-nitrobenzene;4-bromo-2-N-methylbenzene-1,2-diamine;6-bromo-1-methyl-3H-indol-2-one;5-bromo-N-methyl-2-nitroaniline;6-[6-(4-chloroanilino)-2-morpholin-4-ylpyrimidin-4-yl]-1-methyl-3H-indol-2-one;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;deuterio(iodo)methane;methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-one
CID 162027931

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclopropyl-1-methylbenzimidazole;4-bromo-2-fluoro-1-nitrobenzene;4-bromo-2-N-methylbenzene-1,2-diamine;5-bromo-N-methyl-2-nitroaniline;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(2-cyclopropyl-3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopropanecarboxylic acid;2-cyclopropyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;methanamine?
The IUPAC name of 6-bromo-2-cyclopropyl-1-methylbenzimidazole;4-bromo-2-fluoro-1-nitrobenzene;4-bromo-2-N-methylbenzene-1,2-diamine;5-bromo-N-methyl-2-nitroaniline;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(2-cyclopropyl-3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopropanecarboxylic acid;2-cyclopropyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;methanamine (CID 160803463) is 6-bromo-2-cyclopropyl-1-methylbenzimidazole;4-bromo-2-fluoro-1-nitrobenzene;4-bromo-2-N-methylbenzene-1,2-diamine;5-bromo-N-methyl-2-nitroaniline;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(2-cyclopropyl-3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopropanecarboxylic acid;2-cyclopropyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;methanamine.
What is the SMILES notation for 6-bromo-2-cyclopropyl-1-methylbenzimidazole;4-bromo-2-fluoro-1-nitrobenzene;4-bromo-2-N-methylbenzene-1,2-diamine;5-bromo-N-methyl-2-nitroaniline;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(2-cyclopropyl-3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopropanecarboxylic acid;2-cyclopropyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;methanamine?
The canonical SMILES for 6-bromo-2-cyclopropyl-1-methylbenzimidazole;4-bromo-2-fluoro-1-nitrobenzene;4-bromo-2-N-methylbenzene-1,2-diamine;5-bromo-N-methyl-2-nitroaniline;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(2-cyclopropyl-3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopropanecarboxylic acid;2-cyclopropyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;methanamine is CN.CNc1cc(Br)ccc1N.CNc1cc(Br)ccc1[N+](=O)[O-].Clc1ccc(Nc2cc(Cl)nc(N3CCOCC3)n2)cc1.Cn1c(C2CC2)nc2ccc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)cc21.Cn1c(C2CC2)nc2ccc(B3OC(C)(C)C(C)(C)O3)cc21.Cn1c(C2CC2)nc2ccc(Br)cc21.O=C(O)C1CC1.O=[N+]([O-])c1ccc(Br)cc1F.
What is the InChIKey of 6-bromo-2-cyclopropyl-1-methylbenzimidazole;4-bromo-2-fluoro-1-nitrobenzene;4-bromo-2-N-methylbenzene-1,2-diamine;5-bromo-N-methyl-2-nitroaniline;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(2-cyclopropyl-3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopropanecarboxylic acid;2-cyclopropyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;methanamine?
The InChIKey is SDJQKFFMDGLOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O.C17H23BN2O2.C14H14Cl2N4O.C11H11BrN2.C7H7BrN2O2.C7H9BrN2.C6H3BrFNO2.C4H6O2.CH5N/c1-31-22-14-17(4-9-20(22)28-24(31)16-2-3-16)21-15-23(27-19-7-5-18(26)6-8-19)30-25(29-21)32-10-12-33-13-11-32;1-16(2)17(3,4)22-18(21-16)12-8-9-13-14(10-12)20(5)15(19-13)11-6-7-11;15-10-1-3-11(4-2-10)17-13-9-12(16)18-14(19-13)20-5-7-21-8-6-20;1-14-10-6-8(12)4-5-9(10)13-11(14)7-2-3-7;1-9-6-4-5(8)2-3-7(6)10(11)12;1-10-7-4-5(8)2-3-6(7)9;7-4-1-2-6(9(10)11)5(8)3-4;5-4(6)3-1-2-3;1-2/h4-9,14-16H,2-3,10-13H2,1H3,(H,27,29,30);8-11H,6-7H2,1-5H3;1-4,9H,5-8H2,(H,17,18,19);4-7H,2-3H2,1H3;2-4,9H,1H3;2-4,10H,9H2,1H3;1-3H;3H,1-2H2,(H,5,6);2H2,1H3.
What are the key properties of 6-bromo-2-cyclopropyl-1-methylbenzimidazole;4-bromo-2-fluoro-1-nitrobenzene;4-bromo-2-N-methylbenzene-1,2-diamine;5-bromo-N-methyl-2-nitroaniline;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(2-cyclopropyl-3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopropanecarboxylic acid;2-cyclopropyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;methanamine?
6-bromo-2-cyclopropyl-1-methylbenzimidazole;4-bromo-2-fluoro-1-nitrobenzene;4-bromo-2-N-methylbenzene-1,2-diamine;5-bromo-N-methyl-2-nitroaniline;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(2-cyclopropyl-3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopropanecarboxylic acid;2-cyclopropyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;methanamine has a molecular weight of 2104.75 g/mol, XLogP of 21.49, 16 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclopropyl-1-methylbenzimidazole;4-bromo-2-fluoro-1-nitrobenzene;4-bromo-2-N-methylbenzene-1,2-diamine;5-bromo-N-methyl-2-nitroaniline;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(2-cyclopropyl-3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopropanecarboxylic acid;2-cyclopropyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;methanamine is sourced from PubChem (CID 160803463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).