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

C77H71F4N19O4 — CID 158143448

IUPAC4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-[7-(1,4-dimethylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]cnc12.Cc1cnn(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]cnc12.Cc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C(F)F)nc12.Cc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3(F)F)nc12
InChIInChI=1S/C22H18N4O.C20H19F2N5O.C18H17F2N5O.C17H17N5O/c1-12-6-7-18-16(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;1-8-16(9(2)26-25-8)13-5-12(17-10(3)27-28-11(17)4)6-15-18(13)24-19(23-15)14-7-20(14,21)22;1-7-14(8(2)24-23-7)12-5-11(15-9(3)25-26-10(15)4)6-13-16(12)22-18(21-13)17(19)20;1-9-7-20-22(4)17(9)13-5-12(6-14-16(13)19-8-18-14)15-10(2)21-23-11(15)3/h4-11H,1-3H3,(H,24,25);5-6,14H,7H2,1-4H3,(H,23,24)(H,25,26);5-6,17H,1-4H3,(H,21,22)(H,23,24);5-8H,1-4H3,(H,18,19)
InChIKeyFUFOFJWSNLFTQK-UHFFFAOYSA-N
MW1402.54 g/mol
LogP18.65
Rot. Bonds10

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

4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-[7-(1,4-dimethylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 158143448) has the molecular formula C77H71F4N19O4 and a molecular weight of 1402.54 g/mol. Its IUPAC name is 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-[7-(1,4-dimethylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-[7-(1,4-dimethylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID158143448
Molecular FormulaC77H71F4N19O4
Molecular Weight1402.54 g/mol
Exact Mass1401.59
IUPAC Name4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-[7-(1,4-dimethylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]cnc12.Cc1cnn(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]cnc12.Cc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C(F)F)nc12.Cc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3(F)F)nc12
InChIInChI=1S/C22H18N4O.C20H19F2N5O.C18H17F2N5O.C17H17N5O/c1-12-6-7-18-16(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;1-8-16(9(2)26-25-8)13-5-12(17-10(3)27-28-11(17)4)6-15-18(13)24-19(23-15)14-7-20(14,21)22;1-7-14(8(2)24-23-7)12-5-11(15-9(3)25-26-10(15)4)6-13-16(12)22-18(21-13)17(19)20;1-9-7-20-22(4)17(9)13-5-12(6-14-16(13)19-8-18-14)15-10(2)21-23-11(15)3/h4-11H,1-3H3,(H,24,25);5-6,14H,7H2,1-4H3,(H,23,24)(H,25,26);5-6,17H,1-4H3,(H,21,22)(H,23,24);5-8H,1-4H3,(H,18,19)
InChIKeyFUFOFJWSNLFTQK-UHFFFAOYSA-N
XLogP18.65
TPSA306.91 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001402.54
LogP ≤ 518.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

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

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Related Compounds

4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole
CID 86301666
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-(1,4-dimethylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 117689344
4-[2-cyclopropyl-7-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 117689457
3,5-dimethyl-4-[7-quinolin-5-yl-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2-oxazole
CID 117689562
4-[7-(2,4-dimethylpyrazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 117689606
3,5-dimethyl-4-[2-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-1,2-oxazole
CID 121292997
4-[7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 121442923
N-[22-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)-1H-benzimidazol-4-yl]quinolin-2-yl]-3-methyl-4-oxa-5,13,20,22-tetrazahexacyclo[16.6.1.17,11.02,6.012,17.019,23]hexacosa-1(25),2,5,7,9,11(26),12(17),13,15,18,20,23-dodecaen-21-yl]cyclopropanesulfonamide
CID 134571789
3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2-oxazole;ethane
CID 142371036
4-[2-(2,2-difluorocyclopropyl)-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;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-yl]-fluoromethanamine
CID 157164962

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-[7-(1,4-dimethylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-[7-(1,4-dimethylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 158143448) is 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-[7-(1,4-dimethylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-[7-(1,4-dimethylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-[7-(1,4-dimethylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]cnc12.Cc1cnn(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]cnc12.Cc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C(F)F)nc12.Cc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3(F)F)nc12.
What is the InChIKey of 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-[7-(1,4-dimethylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is FUFOFJWSNLFTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O.C20H19F2N5O.C18H17F2N5O.C17H17N5O/c1-12-6-7-18-16(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;1-8-16(9(2)26-25-8)13-5-12(17-10(3)27-28-11(17)4)6-15-18(13)24-19(23-15)14-7-20(14,21)22;1-7-14(8(2)24-23-7)12-5-11(15-9(3)25-26-10(15)4)6-13-16(12)22-18(21-13)17(19)20;1-9-7-20-22(4)17(9)13-5-12(6-14-16(13)19-8-18-14)15-10(2)21-23-11(15)3/h4-11H,1-3H3,(H,24,25);5-6,14H,7H2,1-4H3,(H,23,24)(H,25,26);5-6,17H,1-4H3,(H,21,22)(H,23,24);5-8H,1-4H3,(H,18,19).
What are the key properties of 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-[7-(1,4-dimethylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-[7-(1,4-dimethylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1402.54 g/mol, XLogP of 18.65, 10 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-[7-(1,4-dimethylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158143448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).