4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole

C86H77F4N15O4 — CID 158650973

IUPAC4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
SMILESCC1=NCC(C)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(C(F)F)nc12.CC1=NCC(C)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3(F)F)nc12.Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]cnc12.Cc1nc2c(-c3c(C)ccc4ccccc34)cc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C24H21N3O.C22H18N4O.C21H20F2N4O.C19H18F2N4O/c1-13-9-10-17-7-5-6-8-19(17)22(13)20-11-18(23-14(2)27-28-15(23)3)12-21-24(20)26-16(4)25-21;1-12-6-7-18-16(5-4-8-23-18)20(12)17-9-15(10-19-22(17)25-11-24-19)21-13(2)26-27-14(21)3;1-9-8-24-10(2)17(9)14-5-13(18-11(3)27-28-12(18)4)6-16-19(14)26-20(25-16)15-7-21(15,22)23;1-8-7-22-9(2)15(8)13-5-12(16-10(3)25-26-11(16)4)6-14-17(13)24-19(23-14)18(20)21/h5-12H,1-4H3,(H,25,26);4-11H,1-3H3,(H,24,25);5-6,15H,7-8H2,1-4H3,(H,25,26);5-6,18H,7H2,1-4H3,(H,23,24)
InChIKeyIBNYIGALZVGUIV-UHFFFAOYSA-N
MW1460.65 g/mol
LogP21.86
Rot. Bonds10

About 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole

4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole (PubChem CID 158650973) has the molecular formula C86H77F4N15O4 and a molecular weight of 1460.65 g/mol. Its IUPAC name is 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
PubChem CID158650973
Molecular FormulaC86H77F4N15O4
Molecular Weight1460.65 g/mol
Exact Mass1459.62
IUPAC Name4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
SMILESCC1=NCC(C)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(C(F)F)nc12.CC1=NCC(C)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3(F)F)nc12.Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]cnc12.Cc1nc2c(-c3c(C)ccc4ccccc34)cc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C24H21N3O.C22H18N4O.C21H20F2N4O.C19H18F2N4O/c1-13-9-10-17-7-5-6-8-19(17)22(13)20-11-18(23-14(2)27-28-15(23)3)12-21-24(20)26-16(4)25-21;1-12-6-7-18-16(5-4-8-23-18)20(12)17-9-15(10-19-22(17)25-11-24-19)21-13(2)26-27-14(21)3;1-9-8-24-10(2)17(9)14-5-13(18-11(3)27-28-12(18)4)6-16-19(14)26-20(25-16)15-7-21(15,22)23;1-8-7-22-9(2)15(8)13-5-12(16-10(3)25-26-11(16)4)6-14-17(13)24-19(23-14)18(20)21/h5-12H,1-4H3,(H,25,26);4-11H,1-3H3,(H,24,25);5-6,15H,7-8H2,1-4H3,(H,25,26);5-6,18H,7H2,1-4H3,(H,23,24)
InChIKeyIBNYIGALZVGUIV-UHFFFAOYSA-N
XLogP21.86
TPSA256.45 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001460.65
LogP ≤ 521.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole with MolForge

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Launch Full Analysis

Related Compounds

4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole
CID 86301666
(2-cyclopropyl-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-4-yl)(phenyl)(pyridin-3-yl)methanol
CID 86281212
4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 86282285
4-(2-cyclopropyl-1-methyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole
CID 86282419
3,5-dimethyl-4-(4-(6-methylquinolin-5-yl)-2-(trifluoromethyl)-1H-benzo[d]imidazol-6-yl)isoxazole
CID 86282422
3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
CID 86282555
4-(2-cyclopropyl-7-(2,4-dimethylpyridin-3-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole
CID 117689290
4-(2-methoxy-4-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-6-yl)-3,5-dimethylisoxazole
CID 117689440
4-[2-cyclopropyl-7-[fluoro(dipyridin-2-yl)methyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 117689383
4-[2-cyclopropyl-7-[fluoro(dipyridin-3-yl)methyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 117689400
3,5-Dimethyl-4-[1-methyl-7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1,2-oxazole
CID 117689409
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-bis(6-fluoro-3-pyridinyl)methanol
CID 117689459

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole?
The IUPAC name of 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole (CID 158650973) is 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole?
The canonical SMILES for 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole is CC1=NCC(C)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(C(F)F)nc12.CC1=NCC(C)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3(F)F)nc12.Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]cnc12.Cc1nc2c(-c3c(C)ccc4ccccc34)cc(-c3c(C)noc3C)cc2[nH]1.
What is the InChIKey of 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole?
The InChIKey is IBNYIGALZVGUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O.C22H18N4O.C21H20F2N4O.C19H18F2N4O/c1-13-9-10-17-7-5-6-8-19(17)22(13)20-11-18(23-14(2)27-28-15(23)3)12-21-24(20)26-16(4)25-21;1-12-6-7-18-16(5-4-8-23-18)20(12)17-9-15(10-19-22(17)25-11-24-19)21-13(2)26-27-14(21)3;1-9-8-24-10(2)17(9)14-5-13(18-11(3)27-28-12(18)4)6-16-19(14)26-20(25-16)15-7-21(15,22)23;1-8-7-22-9(2)15(8)13-5-12(16-10(3)25-26-11(16)4)6-14-17(13)24-19(23-14)18(20)21/h5-12H,1-4H3,(H,25,26);4-11H,1-3H3,(H,24,25);5-6,15H,7-8H2,1-4H3,(H,25,26);5-6,18H,7H2,1-4H3,(H,23,24).
What are the key properties of 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole?
4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole has a molecular weight of 1460.65 g/mol, XLogP of 21.86, 10 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 158650973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).