4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(1-phenylethyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C120H117F2N15O5 — CID 158149396

IUPAC4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(1-phenylethyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESC=C(c1ccc(C(C)(F)F)cc1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.C=C(c1ccc(C)cc1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.C=C(c1cccc(C)c1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1ccc(C(C)c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)cc1.Cc1noc(C)c1-c1cc(C(C)c2ccccc2)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C25H23F2N3O.C24H25N3O.2C24H23N3O.C23H23N3O/c1-13(16-7-9-19(10-8-16)25(4,26)27)20-11-18(22-14(2)30-31-15(22)3)12-21-23(20)29-24(28-21)17-5-6-17;2*1-13-5-7-17(8-6-13)14(2)20-11-19(22-15(3)27-28-16(22)4)12-21-23(20)26-24(25-21)18-9-10-18;1-13-6-5-7-18(10-13)14(2)20-11-19(22-15(3)27-28-16(22)4)12-21-23(20)26-24(25-21)17-8-9-17;1-13(16-7-5-4-6-8-16)19-11-18(21-14(2)26-27-15(21)3)12-20-22(19)25-23(24-20)17-9-10-17/h7-12,17H,1,5-6H2,2-4H3,(H,28,29);5-8,11-12,14,18H,9-10H2,1-4H3,(H,25,26);5-8,11-12,18H,2,9-10H2,1,3-4H3,(H,25,26);5-7,10-12,17H,2,8-9H2,1,3-4H3,(H,25,26);4-8,11-13,17H,9-10H2,1-3H3,(H,24,25)
InChIKeyFUXKOLGDFKRWFO-UHFFFAOYSA-N
MW1887.35 g/mol
LogP31.09
Rot. Bonds21

About 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(1-phenylethyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(1-phenylethyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 158149396) has the molecular formula C120H117F2N15O5 and a molecular weight of 1887.35 g/mol. Its IUPAC name is 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(1-phenylethyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(1-phenylethyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID158149396
Molecular FormulaC120H117F2N15O5
Molecular Weight1887.35 g/mol
Exact Mass1885.93
IUPAC Name4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(1-phenylethyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESC=C(c1ccc(C(C)(F)F)cc1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.C=C(c1ccc(C)cc1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.C=C(c1cccc(C)c1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1ccc(C(C)c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)cc1.Cc1noc(C)c1-c1cc(C(C)c2ccccc2)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C25H23F2N3O.C24H25N3O.2C24H23N3O.C23H23N3O/c1-13(16-7-9-19(10-8-16)25(4,26)27)20-11-18(22-14(2)30-31-15(22)3)12-21-23(20)29-24(28-21)17-5-6-17;2*1-13-5-7-17(8-6-13)14(2)20-11-19(22-15(3)27-28-16(22)4)12-21-23(20)26-24(25-21)18-9-10-18;1-13-6-5-7-18(10-13)14(2)20-11-19(22-15(3)27-28-16(22)4)12-21-23(20)26-24(25-21)17-8-9-17;1-13(16-7-5-4-6-8-16)19-11-18(21-14(2)26-27-15(21)3)12-20-22(19)25-23(24-20)17-9-10-17/h7-12,17H,1,5-6H2,2-4H3,(H,28,29);5-8,11-12,14,18H,9-10H2,1-4H3,(H,25,26);5-8,11-12,18H,2,9-10H2,1,3-4H3,(H,25,26);5-7,10-12,17H,2,8-9H2,1,3-4H3,(H,25,26);4-8,11-13,17H,9-10H2,1-3H3,(H,24,25)
InChIKeyFUXKOLGDFKRWFO-UHFFFAOYSA-N
XLogP31.09
TPSA273.55 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001887.35
LogP ≤ 531.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(1-phenylethyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

4-(2-cyclopropyl-4-(3-methyl-5-phenyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-6-yl)-3,5-dimethylisoxazole
CID 117689397
4,4'-(2-Cyclopropyl-1H-benzo[d]imidazole-4,6-diyl)bis(3,5-dimethylisoxazole)
CID 117689648
N-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-1-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine;2,2,2-trifluoroacetic acid
CID 44525150
N-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-1-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methanamine;2,2,2-trifluoroacetic acid
CID 44525152
N-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-1-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methanamine;2,2,2-trifluoroacetic acid
CID 44525160
N-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-1-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine;2,2,2-trifluoroacetic acid
CID 44525164
N-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-1-[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methanamine;2,2,2-trifluoroacetic acid
CID 44525170
(E)-4-(2-cyclopropyl-4-(hex-3-en-3-yl)-1H-benzo[d]imidazol-6-yl)-3,5-dimethylisoxazole
CID 86280791
4-(2-cyclopropyl-4-(pentan-3-yl)-1H-benzo[d]imidazol-6-yl)-3,5-dimethylisoxazole
CID 86280936
(2-Cyclopropyl-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-4-yl)diphenylmethanol
CID 86281080
4-[2-cyclopropyl-7-[1-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 86281737
4-(2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole
CID 117689237

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(1-phenylethyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(1-phenylethyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 158149396) is 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(1-phenylethyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(1-phenylethyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(1-phenylethyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is C=C(c1ccc(C(C)(F)F)cc1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.C=C(c1ccc(C)cc1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.C=C(c1cccc(C)c1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1ccc(C(C)c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)cc1.Cc1noc(C)c1-c1cc(C(C)c2ccccc2)c2nc(C3CC3)[nH]c2c1.
What is the InChIKey of 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(1-phenylethyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is FUXKOLGDFKRWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O.C24H25N3O.2C24H23N3O.C23H23N3O/c1-13(16-7-9-19(10-8-16)25(4,26)27)20-11-18(22-14(2)30-31-15(22)3)12-21-23(20)29-24(28-21)17-5-6-17;2*1-13-5-7-17(8-6-13)14(2)20-11-19(22-15(3)27-28-16(22)4)12-21-23(20)26-24(25-21)18-9-10-18;1-13-6-5-7-18(10-13)14(2)20-11-19(22-15(3)27-28-16(22)4)12-21-23(20)26-24(25-21)17-8-9-17;1-13(16-7-5-4-6-8-16)19-11-18(21-14(2)26-27-15(21)3)12-20-22(19)25-23(24-20)17-9-10-17/h7-12,17H,1,5-6H2,2-4H3,(H,28,29);5-8,11-12,14,18H,9-10H2,1-4H3,(H,25,26);5-8,11-12,18H,2,9-10H2,1,3-4H3,(H,25,26);5-7,10-12,17H,2,8-9H2,1,3-4H3,(H,25,26);4-8,11-13,17H,9-10H2,1-3H3,(H,24,25).
What are the key properties of 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(1-phenylethyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(1-phenylethyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1887.35 g/mol, XLogP of 31.09, 21 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(1-phenylethyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158149396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).