7-amino-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1,2,4-triazol-4-yl)benzimidazole-5-carboxamide;N-(2-oxoethyl)formamide

C86H80BrCl4F8N17O11 — CID 159341905

IUPAC7-amino-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1,2,4-triazol-4-yl)benzimidazole-5-carboxamide;N-(2-oxoethyl)formamide
SMILESCC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-n3cnnc3)c21.CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21.CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(N)c21.COc1ccc(CCc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc3ncn(C(C)C)c23)cc1.O=CCNC=O
InChIInChI=1S/C27H26ClF2N3O3.C20H17ClF2N6O2.C18H15BrClF2N3O2.C18H17ClF2N4O2.C3H5NO2/c1-17(2)33-16-31-24-15-20(26(34)32-21-8-12-23(13-9-21)36-27(28,29)30)14-19(25(24)33)7-4-18-5-10-22(35-3)11-6-18;1-12(2)29-9-24-16-7-13(8-17(18(16)29)28-10-25-26-11-28)19(30)27-14-3-5-15(6-4-14)31-20(21,22)23;1-10(2)25-9-23-15-8-11(7-14(19)16(15)25)17(26)24-12-3-5-13(6-4-12)27-18(20,21)22;1-10(2)25-9-23-15-8-11(7-14(22)16(15)25)17(26)24-12-3-5-13(6-4-12)27-18(19,20)21;5-2-1-4-3-6/h5-6,8-17H,4,7H2,1-3H3,(H,32,34);3-12H,1-2H3,(H,27,30);3-10H,1-2H3,(H,24,26);3-10H,22H2,1-2H3,(H,24,26);2-3H,1H2,(H,4,6)
InChIKeyLGFYMFXLVTUUDM-UHFFFAOYSA-N
MW1901.39 g/mol
LogP20.80
Rot. Bonds28

About 7-amino-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1,2,4-triazol-4-yl)benzimidazole-5-carboxamide;N-(2-oxoethyl)formamide

7-amino-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1,2,4-triazol-4-yl)benzimidazole-5-carboxamide;N-(2-oxoethyl)formamide (PubChem CID 159341905) has the molecular formula C86H80BrCl4F8N17O11 and a molecular weight of 1901.39 g/mol. Its IUPAC name is 7-amino-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1,2,4-triazol-4-yl)benzimidazole-5-carboxamide;N-(2-oxoethyl)formamide.

Molecular Properties

Compound Name7-amino-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1,2,4-triazol-4-yl)benzimidazole-5-carboxamide;N-(2-oxoethyl)formamide
PubChem CID159341905
Molecular FormulaC86H80BrCl4F8N17O11
Molecular Weight1901.39 g/mol
Exact Mass1897.40
IUPAC Name7-amino-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1,2,4-triazol-4-yl)benzimidazole-5-carboxamide;N-(2-oxoethyl)formamide
SMILESCC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-n3cnnc3)c21.CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21.CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(N)c21.COc1ccc(CCc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc3ncn(C(C)C)c23)cc1.O=CCNC=O
InChIInChI=1S/C27H26ClF2N3O3.C20H17ClF2N6O2.C18H15BrClF2N3O2.C18H17ClF2N4O2.C3H5NO2/c1-17(2)33-16-31-24-15-20(26(34)32-21-8-12-23(13-9-21)36-27(28,29)30)14-19(25(24)33)7-4-18-5-10-22(35-3)11-6-18;1-12(2)29-9-24-16-7-13(8-17(18(16)29)28-10-25-26-11-28)19(30)27-14-3-5-15(6-4-14)31-20(21,22)23;1-10(2)25-9-23-15-8-11(7-14(19)16(15)25)17(26)24-12-3-5-13(6-4-12)27-18(20,21)22;1-10(2)25-9-23-15-8-11(7-14(22)16(15)25)17(26)24-12-3-5-13(6-4-12)27-18(19,20)21;5-2-1-4-3-6/h5-6,8-17H,4,7H2,1-3H3,(H,32,34);3-12H,1-2H3,(H,27,30);3-10H,1-2H3,(H,24,26);3-10H,22H2,1-2H3,(H,24,26);2-3H,1H2,(H,4,6)
InChIKeyLGFYMFXLVTUUDM-UHFFFAOYSA-N
XLogP20.80
TPSA336.73 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds28
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001901.39
LogP ≤ 520.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1,2,4-triazol-4-yl)benzimidazole-5-carboxamide;N-(2-oxoethyl)formamide?
The IUPAC name of 7-amino-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1,2,4-triazol-4-yl)benzimidazole-5-carboxamide;N-(2-oxoethyl)formamide (CID 159341905) is 7-amino-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1,2,4-triazol-4-yl)benzimidazole-5-carboxamide;N-(2-oxoethyl)formamide.
What is the SMILES notation for 7-amino-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1,2,4-triazol-4-yl)benzimidazole-5-carboxamide;N-(2-oxoethyl)formamide?
The canonical SMILES for 7-amino-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1,2,4-triazol-4-yl)benzimidazole-5-carboxamide;N-(2-oxoethyl)formamide is CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-n3cnnc3)c21.CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21.CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(N)c21.COc1ccc(CCc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc3ncn(C(C)C)c23)cc1.O=CCNC=O.
What is the InChIKey of 7-amino-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1,2,4-triazol-4-yl)benzimidazole-5-carboxamide;N-(2-oxoethyl)formamide?
The InChIKey is LGFYMFXLVTUUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClF2N3O3.C20H17ClF2N6O2.C18H15BrClF2N3O2.C18H17ClF2N4O2.C3H5NO2/c1-17(2)33-16-31-24-15-20(26(34)32-21-8-12-23(13-9-21)36-27(28,29)30)14-19(25(24)33)7-4-18-5-10-22(35-3)11-6-18;1-12(2)29-9-24-16-7-13(8-17(18(16)29)28-10-25-26-11-28)19(30)27-14-3-5-15(6-4-14)31-20(21,22)23;1-10(2)25-9-23-15-8-11(7-14(19)16(15)25)17(26)24-12-3-5-13(6-4-12)27-18(20,21)22;1-10(2)25-9-23-15-8-11(7-14(22)16(15)25)17(26)24-12-3-5-13(6-4-12)27-18(19,20)21;5-2-1-4-3-6/h5-6,8-17H,4,7H2,1-3H3,(H,32,34);3-12H,1-2H3,(H,27,30);3-10H,1-2H3,(H,24,26);3-10H,22H2,1-2H3,(H,24,26);2-3H,1H2,(H,4,6).
What are the key properties of 7-amino-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1,2,4-triazol-4-yl)benzimidazole-5-carboxamide;N-(2-oxoethyl)formamide?
7-amino-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1,2,4-triazol-4-yl)benzimidazole-5-carboxamide;N-(2-oxoethyl)formamide has a molecular weight of 1901.39 g/mol, XLogP of 20.80, 28 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1,2,4-triazol-4-yl)benzimidazole-5-carboxamide;N-(2-oxoethyl)formamide is sourced from PubChem (CID 159341905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).