7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-(4-fluoro-1H-pyrazol-5-yl)benzimidazole-5-carboxamide;[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-trimethylstannane;palladium;tetrakis(triphenylphosphane)

C154H130BrCl3F9N15O8P4PdSn — CID 159930552

IUPAC7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-(4-fluoro-1H-pyrazol-5-yl)benzimidazole-5-carboxamide;[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-trimethylstannane;palladium;tetrakis(triphenylphosphane)
SMILESCOc1ccc(Cn2ncc(F)c2-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc3ncn(C4CC4)c23)cc1.COc1ccc(Cn2ncc(F)c2[Sn](C)(C)C)cc1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2[nH]ncc2F)c2c(c1)ncn2C1CC1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(Br)c2c(c1)ncn2C1CC1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H23ClF3N5O3.C21H15ClF3N5O2.C18H13BrClF2N3O2.4C18H15P.C11H10FN2O.3CH3.Pd.Sn/c1-40-21-8-2-17(3-9-21)15-38-26(24(31)14-35-38)23-12-18(13-25-27(23)37(16-34-25)20-6-7-20)28(39)36-19-4-10-22(11-5-19)41-29(30,32)33;22-21(24,25)32-14-5-1-12(2-6-14)28-20(31)11-7-15(18-16(23)9-27-29-18)19-17(8-11)26-10-30(19)13-3-4-13;19-14-7-10(8-15-16(14)25(9-23-15)12-3-4-12)17(26)24-11-1-5-13(6-2-11)27-18(20,21)22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15-11-4-2-9(3-5-11)7-14-8-10(12)6-13-14;;;;;/h2-5,8-14,16,20H,6-7,15H2,1H3,(H,36,39);1-2,5-10,13H,3-4H2,(H,27,29)(H,28,31);1-2,5-9,12H,3-4H2,(H,24,26);4*1-15H;2-6H,7H2,1H3;3*1H3;;
InChIKeyNZOWBPOYDPRLNR-UHFFFAOYSA-N
MW3025.10 g/mol
LogP34.13
Rot. Bonds36

About 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-(4-fluoro-1H-pyrazol-5-yl)benzimidazole-5-carboxamide;[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-trimethylstannane;palladium;tetrakis(triphenylphosphane)

7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-(4-fluoro-1H-pyrazol-5-yl)benzimidazole-5-carboxamide;[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-trimethylstannane;palladium;tetrakis(triphenylphosphane) (PubChem CID 159930552) has the molecular formula C154H130BrCl3F9N15O8P4PdSn and a molecular weight of 3025.10 g/mol. Its IUPAC name is 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-(4-fluoro-1H-pyrazol-5-yl)benzimidazole-5-carboxamide;[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-trimethylstannane;palladium;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-(4-fluoro-1H-pyrazol-5-yl)benzimidazole-5-carboxamide;[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-trimethylstannane;palladium;tetrakis(triphenylphosphane)
PubChem CID159930552
Molecular FormulaC154H130BrCl3F9N15O8P4PdSn
Molecular Weight3025.10 g/mol
Exact Mass3021.53
IUPAC Name7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-(4-fluoro-1H-pyrazol-5-yl)benzimidazole-5-carboxamide;[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-trimethylstannane;palladium;tetrakis(triphenylphosphane)
SMILESCOc1ccc(Cn2ncc(F)c2-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc3ncn(C4CC4)c23)cc1.COc1ccc(Cn2ncc(F)c2[Sn](C)(C)C)cc1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2[nH]ncc2F)c2c(c1)ncn2C1CC1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(Br)c2c(c1)ncn2C1CC1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H23ClF3N5O3.C21H15ClF3N5O2.C18H13BrClF2N3O2.4C18H15P.C11H10FN2O.3CH3.Pd.Sn/c1-40-21-8-2-17(3-9-21)15-38-26(24(31)14-35-38)23-12-18(13-25-27(23)37(16-34-25)20-6-7-20)28(39)36-19-4-10-22(11-5-19)41-29(30,32)33;22-21(24,25)32-14-5-1-12(2-6-14)28-20(31)11-7-15(18-16(23)9-27-29-18)19-17(8-11)26-10-30(19)13-3-4-13;19-14-7-10(8-15-16(14)25(9-23-15)12-3-4-12)17(26)24-11-1-5-13(6-2-11)27-18(20,21)22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15-11-4-2-9(3-5-11)7-14-8-10(12)6-13-14;;;;;/h2-5,8-14,16,20H,6-7,15H2,1H3,(H,36,39);1-2,5-10,13H,3-4H2,(H,27,29)(H,28,31);1-2,5-9,12H,3-4H2,(H,24,26);4*1-15H;2-6H,7H2,1H3;3*1H3;;
InChIKeyNZOWBPOYDPRLNR-UHFFFAOYSA-N
XLogP34.13
TPSA251.23 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds36
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003025.10
LogP ≤ 534.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-(4-fluoro-1H-pyrazol-5-yl)benzimidazole-5-carboxamide;[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-trimethylstannane;palladium;tetrakis(triphenylphosphane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-(4-fluoro-1H-pyrazol-5-yl)benzimidazole-5-carboxamide;[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-trimethylstannane;palladium;tetrakis(triphenylphosphane)?
The IUPAC name of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-(4-fluoro-1H-pyrazol-5-yl)benzimidazole-5-carboxamide;[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-trimethylstannane;palladium;tetrakis(triphenylphosphane) (CID 159930552) is 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-(4-fluoro-1H-pyrazol-5-yl)benzimidazole-5-carboxamide;[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-trimethylstannane;palladium;tetrakis(triphenylphosphane).
What is the SMILES notation for 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-(4-fluoro-1H-pyrazol-5-yl)benzimidazole-5-carboxamide;[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-trimethylstannane;palladium;tetrakis(triphenylphosphane)?
The canonical SMILES for 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-(4-fluoro-1H-pyrazol-5-yl)benzimidazole-5-carboxamide;[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-trimethylstannane;palladium;tetrakis(triphenylphosphane) is COc1ccc(Cn2ncc(F)c2-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc3ncn(C4CC4)c23)cc1.COc1ccc(Cn2ncc(F)c2[Sn](C)(C)C)cc1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2[nH]ncc2F)c2c(c1)ncn2C1CC1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(Br)c2c(c1)ncn2C1CC1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-(4-fluoro-1H-pyrazol-5-yl)benzimidazole-5-carboxamide;[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-trimethylstannane;palladium;tetrakis(triphenylphosphane)?
The InChIKey is NZOWBPOYDPRLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClF3N5O3.C21H15ClF3N5O2.C18H13BrClF2N3O2.4C18H15P.C11H10FN2O.3CH3.Pd.Sn/c1-40-21-8-2-17(3-9-21)15-38-26(24(31)14-35-38)23-12-18(13-25-27(23)37(16-34-25)20-6-7-20)28(39)36-19-4-10-22(11-5-19)41-29(30,32)33;22-21(24,25)32-14-5-1-12(2-6-14)28-20(31)11-7-15(18-16(23)9-27-29-18)19-17(8-11)26-10-30(19)13-3-4-13;19-14-7-10(8-15-16(14)25(9-23-15)12-3-4-12)17(26)24-11-1-5-13(6-2-11)27-18(20,21)22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15-11-4-2-9(3-5-11)7-14-8-10(12)6-13-14;;;;;/h2-5,8-14,16,20H,6-7,15H2,1H3,(H,36,39);1-2,5-10,13H,3-4H2,(H,27,29)(H,28,31);1-2,5-9,12H,3-4H2,(H,24,26);4*1-15H;2-6H,7H2,1H3;3*1H3;;.
What are the key properties of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-(4-fluoro-1H-pyrazol-5-yl)benzimidazole-5-carboxamide;[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-trimethylstannane;palladium;tetrakis(triphenylphosphane)?
7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-(4-fluoro-1H-pyrazol-5-yl)benzimidazole-5-carboxamide;[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-trimethylstannane;palladium;tetrakis(triphenylphosphane) has a molecular weight of 3025.10 g/mol, XLogP of 34.13, 36 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-(4-fluoro-1H-pyrazol-5-yl)benzimidazole-5-carboxamide;[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-trimethylstannane;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159930552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).