7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)benzimidazole-5-carboxamide;1-chloro-3-cyclopropylpropan-2-one;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;pyrimidin-5-ylboronic acid

C71H60BBr2Cl4F6N13O11 — CID 161295090

IUPAC7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)benzimidazole-5-carboxamide;1-chloro-3-cyclopropylpropan-2-one;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;pyrimidin-5-ylboronic acid
SMILESO=C(CC1CC1)Cn1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cncnc3)c21.O=C(CC1CC1)Cn1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21.O=C(CCl)CC1CC1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(Br)c2nc[nH]c2c1.OB(O)c1cncnc1
InChIInChI=1S/C25H20ClF2N5O3.C21H17BrClF2N3O3.C15H9BrClF2N3O2.C6H9ClO.C4H5BN2O2/c26-25(27,28)36-20-5-3-18(4-6-20)32-24(35)16-8-21(17-10-29-13-30-11-17)23-22(9-16)31-14-33(23)12-19(34)7-15-1-2-15;22-17-8-13(20(30)27-14-3-5-16(6-4-14)31-21(23,24)25)9-18-19(17)28(11-26-18)10-15(29)7-12-1-2-12;16-11-5-8(6-12-13(11)21-7-20-12)14(23)22-9-1-3-10(4-2-9)24-15(17,18)19;7-4-6(8)3-5-1-2-5;8-5(9)4-1-6-3-7-2-4/h3-6,8-11,13-15H,1-2,7,12H2,(H,32,35);3-6,8-9,11-12H,1-2,7,10H2,(H,27,30);1-7H,(H,20,21)(H,22,23);5H,1-4H2;1-3,8-9H
InChIKeyVGWGVRHLYWYJIK-UHFFFAOYSA-N
MW1697.76 g/mol
LogP15.37
Rot. Bonds25

About 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)benzimidazole-5-carboxamide;1-chloro-3-cyclopropylpropan-2-one;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;pyrimidin-5-ylboronic acid

7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)benzimidazole-5-carboxamide;1-chloro-3-cyclopropylpropan-2-one;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;pyrimidin-5-ylboronic acid (PubChem CID 161295090) has the molecular formula C71H60BBr2Cl4F6N13O11 and a molecular weight of 1697.76 g/mol. Its IUPAC name is 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)benzimidazole-5-carboxamide;1-chloro-3-cyclopropylpropan-2-one;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;pyrimidin-5-ylboronic acid.

Molecular Properties

Compound Name7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)benzimidazole-5-carboxamide;1-chloro-3-cyclopropylpropan-2-one;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;pyrimidin-5-ylboronic acid
PubChem CID161295090
Molecular FormulaC71H60BBr2Cl4F6N13O11
Molecular Weight1697.76 g/mol
Exact Mass1693.17
IUPAC Name7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)benzimidazole-5-carboxamide;1-chloro-3-cyclopropylpropan-2-one;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;pyrimidin-5-ylboronic acid
SMILESO=C(CC1CC1)Cn1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cncnc3)c21.O=C(CC1CC1)Cn1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21.O=C(CCl)CC1CC1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(Br)c2nc[nH]c2c1.OB(O)c1cncnc1
InChIInChI=1S/C25H20ClF2N5O3.C21H17BrClF2N3O3.C15H9BrClF2N3O2.C6H9ClO.C4H5BN2O2/c26-25(27,28)36-20-5-3-18(4-6-20)32-24(35)16-8-21(17-10-29-13-30-11-17)23-22(9-16)31-14-33(23)12-19(34)7-15-1-2-15;22-17-8-13(20(30)27-14-3-5-16(6-4-14)31-21(23,24)25)9-18-19(17)28(11-26-18)10-15(29)7-12-1-2-12;16-11-5-8(6-12-13(11)21-7-20-12)14(23)22-9-1-3-10(4-2-9)24-15(17,18)19;7-4-6(8)3-5-1-2-5;8-5(9)4-1-6-3-7-2-4/h3-6,8-11,13-15H,1-2,7,12H2,(H,32,35);3-6,8-9,11-12H,1-2,7,10H2,(H,27,30);1-7H,(H,20,21)(H,22,23);5H,1-4H2;1-3,8-9H
InChIKeyVGWGVRHLYWYJIK-UHFFFAOYSA-N
XLogP15.37
TPSA322.54 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001697.76
LogP ≤ 515.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)benzimidazole-5-carboxamide;1-chloro-3-cyclopropylpropan-2-one;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;pyrimidin-5-ylboronic acid with MolForge

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Related Compounds

6-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole-8-carboxamide;6-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2,2-dioxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole-8-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2,2-dioxo-6-pyrimidin-5-yl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole-8-carboxamide;pyrimidin-5-ylboronic acid
CID 157425381
(2S)-9-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-hydroxy-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide;(2S)-N-[4-[chloro(difluoro)methoxy]phenyl]-2-hydroxy-9-pyrimidin-5-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide;pyrimidin-5-ylboronic acid
CID 158731555
7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;5-cyclopropyl-1H-imidazole;deuterio(fluoro)methane
CID 159007669
lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxamide;7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;1-(3,4-diamino-5-bromophenyl)ethanone;2,2-difluoroacetic acid;methane;methyl 7-bromo-2-(difluoromethyl)-3H-benzimidazole-5-carboxylate;methyl 7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylate;pyrimidin-5-ylboronic acid;hydroxide;hydrate
CID 159895697
3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-(propan-2-ylamino)benzamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;pyrimidin-5-ylboronic acid;tetramethoxymethane
CID 160148912
7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide;deuterio(fluoro)methane;1H-imidazole
CID 160573389
6-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-pyrimidin-5-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;pyrimidin-5-ylboronic acid
CID 161011813
CID 161056590
CID 161056590
acetic acid;3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-(methylamino)benzamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;methyl 3-[3-bromo-5-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-2-(methylamino)anilino]-3-oxopropanoate;methyl 2-[7-bromo-5-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-1-methylbenzimidazol-2-yl]acetate;methyl 3-chloro-3-oxopropanoate;pyrimidin-5-ylboronic acid
CID 161062125
lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-hydroxycyclobutyl)benzimidazole-5-carboxamide;7-bromo-1-(3-hydroxycyclobutyl)benzimidazole-5-carboxylic acid;1-[7-bromo-1-(3-hydroxycyclobutyl)benzimidazol-5-yl]ethanone;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-hydroxycyclobutyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;deuterio(fluoro)methane;pyrimidin-5-ylboronic acid;hydroxide
CID 161550264

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)benzimidazole-5-carboxamide;1-chloro-3-cyclopropylpropan-2-one;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;pyrimidin-5-ylboronic acid?
The IUPAC name of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)benzimidazole-5-carboxamide;1-chloro-3-cyclopropylpropan-2-one;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;pyrimidin-5-ylboronic acid (CID 161295090) is 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)benzimidazole-5-carboxamide;1-chloro-3-cyclopropylpropan-2-one;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;pyrimidin-5-ylboronic acid.
What is the SMILES notation for 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)benzimidazole-5-carboxamide;1-chloro-3-cyclopropylpropan-2-one;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;pyrimidin-5-ylboronic acid?
The canonical SMILES for 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)benzimidazole-5-carboxamide;1-chloro-3-cyclopropylpropan-2-one;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;pyrimidin-5-ylboronic acid is O=C(CC1CC1)Cn1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cncnc3)c21.O=C(CC1CC1)Cn1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21.O=C(CCl)CC1CC1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(Br)c2nc[nH]c2c1.OB(O)c1cncnc1.
What is the InChIKey of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)benzimidazole-5-carboxamide;1-chloro-3-cyclopropylpropan-2-one;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;pyrimidin-5-ylboronic acid?
The InChIKey is VGWGVRHLYWYJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF2N5O3.C21H17BrClF2N3O3.C15H9BrClF2N3O2.C6H9ClO.C4H5BN2O2/c26-25(27,28)36-20-5-3-18(4-6-20)32-24(35)16-8-21(17-10-29-13-30-11-17)23-22(9-16)31-14-33(23)12-19(34)7-15-1-2-15;22-17-8-13(20(30)27-14-3-5-16(6-4-14)31-21(23,24)25)9-18-19(17)28(11-26-18)10-15(29)7-12-1-2-12;16-11-5-8(6-12-13(11)21-7-20-12)14(23)22-9-1-3-10(4-2-9)24-15(17,18)19;7-4-6(8)3-5-1-2-5;8-5(9)4-1-6-3-7-2-4/h3-6,8-11,13-15H,1-2,7,12H2,(H,32,35);3-6,8-9,11-12H,1-2,7,10H2,(H,27,30);1-7H,(H,20,21)(H,22,23);5H,1-4H2;1-3,8-9H.
What are the key properties of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)benzimidazole-5-carboxamide;1-chloro-3-cyclopropylpropan-2-one;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;pyrimidin-5-ylboronic acid?
7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)benzimidazole-5-carboxamide;1-chloro-3-cyclopropylpropan-2-one;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;pyrimidin-5-ylboronic acid has a molecular weight of 1697.76 g/mol, XLogP of 15.37, 25 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)benzimidazole-5-carboxamide;1-chloro-3-cyclopropylpropan-2-one;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;pyrimidin-5-ylboronic acid is sourced from PubChem (CID 161295090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).